5-methyl-1,2,4-oxadiazole-3-carbaldehyde - CAS 1083300-23-5

Catalog:	BB002250
Product Name:	5-methyl-1,2,4-oxadiazole-3-carbaldehyde
CAS:	1083300-23-5
Synonyms:	5-methyl-1,2,4-oxadiazole-3-carboxaldehyde; 5-methyl-1,2,4-oxadiazole-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methyl-1,2,4-oxadiazole-3-carbaldehyde
Description:	5-methyl-1,2,4-oxadiazole-3-carbaldehyde (CAS# 1083300-23-5 ) is a useful research chemical.
Molecular Weight:	112.088
Molecular Formula:	C4H4N2O2
Canonical SMILES:	CC1=NC(=NO1)C=O
InChI:	InChI=1S/C4H4N2O2/c1-3-5-4(2-7)6-8-3/h2H,1H3
InChI Key:	BZTWTWNMQUXTGY-UHFFFAOYSA-N
LogP:	0.19050

Publication Number	Title	Priority Date
BR-112019017058-A2	compounds such as pde1 inhibitors, pharmaceutical composition and use thereof	20171220
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-10618913-B2	Macrocycles as PDE1 inhibitors	20171220
US-2019185489-A1	Macrocycles as pde1 inhibitors	20171220

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Related Functional Groups

Oxadiazole/Thiadiazole

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Complexity:	96
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.027277375
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.027277375
Rotatable Bond Count:	1
Topological Polar Surface Area:	56
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3