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

C12H16N2O4 — CID 103550856

IUPAC3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1noc(NC(=O)C2CCC(C(=O)O)C2)c1C
InChIInChI=1S/C12H16N2O4/c1-6-7(2)14-18-11(6)13-10(15)8-3-4-9(5-8)12(16)17/h8-9H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCJVFQAAQBAJQPN-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.73
Rot. Bonds3

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

3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550856) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550856
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1noc(NC(=O)C2CCC(C(=O)O)C2)c1C
InChIInChI=1S/C12H16N2O4/c1-6-7(2)14-18-11(6)13-10(15)8-3-4-9(5-8)12(16)17/h8-9H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCJVFQAAQBAJQPN-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391107
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methylpiperidine-1-carboxamide
CID 115672491
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid
CID 68780628
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate
CID 112617370
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092118
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
CID 115672493

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550856) is 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1noc(NC(=O)C2CCC(C(=O)O)C2)c1C.
What is the InChIKey of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CJVFQAAQBAJQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-6-7(2)14-18-11(6)13-10(15)8-3-4-9(5-8)12(16)17/h8-9H,3-5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).