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3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid - CAS 874815-89-1

Name: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038487
Product Name:	3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid
CAS:	874815-89-1
Synonyms:	3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid; 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid
Description:	3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid (CAS# 874815-89-1) is a useful research chemical.
Molecular Weight:	198.222
Molecular Formula:	C9H14N2O3
Canonical SMILES:	CC(C)(C)C1=NOC(=N1)CCC(=O)O
InChI:	InChI=1S/C9H14N2O3/c1-9(2,3)8-10-6(14-11-8)4-5-7(12)13/h4-5H2,1-3H3,(H,12,13)
InChI Key:	VKXWNDWYGSUDQN-UHFFFAOYSA-N

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]C11H9N3O5
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]C12H12N2O3
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]C9H9BrN4O3
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate
[55983-96-5]C10H11N3O
Methyl-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-amine

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:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.10044231
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.10044231
Rotatable Bond Count:	4
Topological Polar Surface Area:	76.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6