4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C12H16N2O4 — CID 114391404

IUPAC4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1coc(NC(=O)C2CC(C)CC2C(=O)O)n1
InChIInChI=1S/C12H16N2O4/c1-6-3-8(9(4-6)11(16)17)10(15)14-12-13-7(2)5-18-12/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyFVCDHNRRDZYDRW-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.67
Rot. Bonds3

About 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114391404) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114391404
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1coc(NC(=O)C2CC(C)CC2C(=O)O)n1
InChIInChI=1S/C12H16N2O4/c1-6-3-8(9(4-6)11(16)17)10(15)14-12-13-7(2)5-18-12/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyFVCDHNRRDZYDRW-UHFFFAOYSA-N
XLogP1.67
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390961
2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
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
cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093033
2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 65487181
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390496
2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391107
trans-(1S,2S)-2-(4-bromobenzoyl)-N-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxamide
CID 135306071
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)urea
CID 115672499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114391404) is 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1coc(NC(=O)C2CC(C)CC2C(=O)O)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FVCDHNRRDZYDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-6-3-8(9(4-6)11(16)17)10(15)14-12-13-7(2)5-18-12/h5-6,8-9H,3-4H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).