3-cyclopentyl-1,2-oxazole-5-carboxylic acid

C9H11NO3 — CID 56828658

IUPAC3-cyclopentyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCCC2)no1
InChIInChI=1S/C9H11NO3/c11-9(12)8-5-7(10-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyBARRKOGFPADROJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP2.03
Rot. Bonds2

About 3-cyclopentyl-1,2-oxazole-5-carboxylic acid

3-cyclopentyl-1,2-oxazole-5-carboxylic acid (PubChem CID 56828658) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-cyclopentyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-1,2-oxazole-5-carboxylic acid
PubChem CID56828658
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-cyclopentyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCCC2)no1
InChIInChI=1S/C9H11NO3/c11-9(12)8-5-7(10-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyBARRKOGFPADROJ-UHFFFAOYSA-N
XLogP2.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117459623
3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 167745354
3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 136560207
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146136179
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736234
5-chloro-3-cyclopentyl-1,2-oxazole
CID 80645479
3-(2-methylazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369689
(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167972128
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731907
3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 154245938
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124962004
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-cyclopentyl-1,2-oxazole-5-carboxylic acid (CID 56828658) is 3-cyclopentyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is BARRKOGFPADROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)8-5-7(10-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 3-cyclopentyl-1,2-oxazole-5-carboxylic acid?
3-cyclopentyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 56828658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).