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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

[881476-28-4]C14H11F3N4O3
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]C13H14N2O5
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]C12H14N6O2S
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[163719-81-1]C11H9FN2O3
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]C12H12N2O3
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate

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