2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C11H14N2O4 — CID 106414778

IUPAC2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1ccno1
InChIInChI=1S/C11H14N2O4/c14-10(12-6-7-4-5-13-17-7)8-2-1-3-9(8)11(15)16/h4-5,8-9H,1-3,6H2,(H,12,14)(H,15,16)
InChIKeySNCRBGXZKNFAAL-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.79
Rot. Bonds4

About 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 106414778) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID106414778
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1ccno1
InChIInChI=1S/C11H14N2O4/c14-10(12-6-7-4-5-13-17-7)8-2-1-3-9(8)11(15)16/h4-5,8-9H,1-3,6H2,(H,12,14)(H,15,16)
InChIKeySNCRBGXZKNFAAL-UHFFFAOYSA-N
XLogP0.79
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106421097
2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978996
cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106414836
4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
CID 106417047
(3R)-N-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 106417230
2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 106421064
1-cyclohexyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415590
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844
2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978789
3-methyl-N-(1,2-oxazol-5-ylmethyl)piperidine-1-carboxamide
CID 106415578

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 106414778) is 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCc1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is SNCRBGXZKNFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-10(12-6-7-4-5-13-17-7)8-2-1-3-9(8)11(15)16/h4-5,8-9H,1-3,6H2,(H,12,14)(H,15,16).
What are the key properties of 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106414778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).