2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C13H18N2O4 — CID 114391107

IUPAC2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCc1noc(NC(=O)C2CC(C)CC2C(=O)O)c1C
InChIInChI=1S/C13H18N2O4/c1-6-4-9(10(5-6)13(17)18)11(16)14-12-7(2)8(3)15-19-12/h6,9-10H,4-5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyNOAZSRKNAKNFPI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.98
Rot. Bonds3

About 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391107) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391107
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCc1noc(NC(=O)C2CC(C)CC2C(=O)O)c1C
InChIInChI=1S/C13H18N2O4/c1-6-4-9(10(5-6)13(17)18)11(16)14-12-7(2)8(3)15-19-12/h6,9-10H,4-5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyNOAZSRKNAKNFPI-UHFFFAOYSA-N
XLogP1.98
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550856
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391404
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide
CID 115672491
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390455
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
2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 65487181
cis-(1R,2S)-4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093033
4-methyl-2-(1,2-oxazol-4-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390961
trans-(1R,2R)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 1272859
4-methyl-2-[(2,4,5-trifluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390949

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114391107) is 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is Cc1noc(NC(=O)C2CC(C)CC2C(=O)O)c1C.
What is the InChIKey of 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is NOAZSRKNAKNFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-6-4-9(10(5-6)13(17)18)11(16)14-12-7(2)8(3)15-19-12/h6,9-10H,4-5H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).