4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid

C11H14N2O4 — CID 114390961

IUPAC4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)Nc2cnoc2)C1
InChIInChI=1S/C11H14N2O4/c1-6-2-8(9(3-6)11(15)16)10(14)13-7-4-12-17-5-7/h4-6,8-9H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyUBKRQJUORVAIFJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.36
Rot. Bonds3

About 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid

4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114390961) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114390961
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)Nc2cnoc2)C1
InChIInChI=1S/C11H14N2O4/c1-6-2-8(9(3-6)11(15)16)10(14)13-7-4-12-17-5-7/h4-6,8-9H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyUBKRQJUORVAIFJ-UHFFFAOYSA-N
XLogP1.36
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,2-oxazol-4-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 62903979
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391404
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391221
cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092674
4-(ethylamino)-N-(1,2-oxazol-4-yl)oxolane-3-carboxamide
CID 66259686
4-methyl-2-(thiadiazol-5-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114911800
4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 62902745
N-(1,2-oxazol-4-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide
CID 131059278
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 107571616
(2R)-N-(1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 130616436

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114390961) is 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)Nc2cnoc2)C1.
What is the InChIKey of 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is UBKRQJUORVAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-2-8(9(3-6)11(15)16)10(14)13-7-4-12-17-5-7/h4-6,8-9H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).