2-Methyloxazole-5-carbaldehyde - CAS 885273-42-7

Catalog:	BB038927
Product Name:	2-Methyloxazole-5-carbaldehyde
CAS:	885273-42-7
Synonyms:	2-methyl-5-oxazolecarboxaldehyde; 2-methyl-1,3-oxazole-5-carbaldehyde

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-methyl-1,3-oxazole-5-carbaldehyde
Description:	2-Methyloxazole-5-carbaldehyde (CAS# 885273-42-7) is a useful research chemical.
Molecular Weight:	111.10
Molecular Formula:	C5H5NO2
Canonical SMILES:	CC1=NC=C(O1)C=O
InChI:	InChI=1S/C5H5NO2/c1-4-6-2-5(3-7)8-4/h2-3H,1H3
InChI Key:	GMUISAQLYQMSAN-UHFFFAOYSA-N
LogP:	0.79550

Publication Number	Title	Priority Date
WO-2020167976-A1	Thieno[3,2-b] pyrrole[3,2-d]pyridazinone derivatives and their use as pkm2 derivatives for the treatment of cancer, obesity and diabetes related disorders	20190213
US-2021238139-A1	Modulators of tryptophan catabolism	20180601
BR-112019017171-A2	1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof	20171220
TW-201927779-A	1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor	20171220
US-2019194189-A1	1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors	20171220

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	94.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.032028402
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	111.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5