2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C11H14N2O4 — CID 103978996

IUPAC2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1ccon1
InChIInChI=1S/C11H14N2O4/c14-10(12-6-7-4-5-17-13-7)8-2-1-3-9(8)11(15)16/h4-5,8-9H,1-3,6H2,(H,12,14)(H,15,16)
InChIKeyILCHLJFTGDUGIG-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.79
Rot. Bonds4

About 2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103978996) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103978996
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1ccon1
InChIInChI=1S/C11H14N2O4/c14-10(12-6-7-4-5-17-13-7)8-2-1-3-9(8)11(15)16/h4-5,8-9H,1-3,6H2,(H,12,14)(H,15,16)
InChIKeyILCHLJFTGDUGIG-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

N-(1,2-oxazol-3-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 81173501
N-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 81170885
2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106414778
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 81178610
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 81178491
2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978822
2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 106744445
4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 81176837
N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
CID 131176570
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 131086599
1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 96834732
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
CID 75432520

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103978996) is 2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is ILCHLJFTGDUGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-10(12-6-7-4-5-17-13-7)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-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(1,2-oxazol-3-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-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).