4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid

C14H13N3O4 — CID 123739597

IUPAC4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid
SMILESN#Cc1ccc2oc(=O)n(C3CCN(C(=O)O)CC3)c2c1
InChIInChI=1S/C14H13N3O4/c15-8-9-1-2-12-11(7-9)17(14(20)21-12)10-3-5-16(6-4-10)13(18)19/h1-2,7,10H,3-6H2,(H,18,19)
InChIKeyOFXYSQDGPIOQJQ-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.78
Rot. Bonds1

About 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid

4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid (PubChem CID 123739597) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid
PubChem CID123739597
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid
SMILESN#Cc1ccc2oc(=O)n(C3CCN(C(=O)O)CC3)c2c1
InChIInChI=1S/C14H13N3O4/c15-8-9-1-2-12-11(7-9)17(14(20)21-12)10-3-5-16(6-4-10)13(18)19/h1-2,7,10H,3-6H2,(H,18,19)
InChIKeyOFXYSQDGPIOQJQ-UHFFFAOYSA-N
XLogP1.78
TPSA99.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate
CID 67326542
3-[1-(2,2-dichloroacetyl)piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 46081488
3-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
CID 83756696
3-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-5-fluoro-1,3-benzoxazol-2-one
CID 46081499
methyl 2-oxo-3-(1-pentanoylpiperidin-4-yl)-1,3-benzoxazole-5-carboxylate
CID 46081496
5-amino-3-cyclobutyl-1,3-benzoxazol-2-one
CID 165480478
3-[2-oxo-2-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]benzoic acid
CID 175101505
5-tert-butyl-3-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]-1,3-benzoxazol-2-one
CID 46085813
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626
tert-butyl 4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 18509724
3-(2-naphthalen-2-yl-2-oxoethyl)-2-oxo-1,3-benzoxazole-5-carbonitrile
CID 155555839
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
CID 138687738

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid (CID 123739597) is 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid is N#Cc1ccc2oc(=O)n(C3CCN(C(=O)O)CC3)c2c1.
What is the InChIKey of 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is OFXYSQDGPIOQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-8-9-1-2-12-11(7-9)17(14(20)21-12)10-3-5-16(6-4-10)13(18)19/h1-2,7,10H,3-6H2,(H,18,19).
What are the key properties of 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid?
4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 123739597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).