2-(tert-Butyl)oxazole-4-carboxylic Acid - CAS 1060816-08-1

Catalog:	BB001805
Product Name:	2-(tert-Butyl)oxazole-4-carboxylic Acid
CAS:	1060816-08-1
Synonyms:	2-tert-butyl-4-oxazolecarboxylic acid; 2-tert-butyl-1,3-oxazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-tert-butyl-1,3-oxazole-4-carboxylic acid
Description:	2-(tert-Butyl)oxazole-4-carboxylic Acid (CAS# 1060816-08-1) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C8H11NO3
Canonical SMILES:	CC(C)(C)C1=NC(=CO1)C(=O)O
InChI:	InChI=1S/C8H11NO3/c1-8(2,3)7-9-5(4-12-7)6(10)11/h4H,1-3H3,(H,10,11)
InChI Key:	GVWUJKRGBRORLJ-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.67030

Publication Number	Title	Priority Date
WO-2019234115-A1	Alkoxy-substituted pyridinyl derivatives as lpa1 receptor antagonists and their use in the treatment of fibrosis	20180607
US-2019382394-A1	Inhibiting agents for bruton's tyrosine kinase	20180514
TW-202016097-A	Bruton's tyrosine kinase inhibitor	20180514
US-10899753-B2	Inhibiting agents for Bruton's tyrosine kinase	20180514
TW-201927756-A	Integrating stress pathway regulator	20171102

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Related Functional Groups

Carbonyl Compounds

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[70912-52-6]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.07389321
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.07389321
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9