3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C13H18N2O4 — CID 63783675

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(CNC(=O)C2CCCC(C(=O)O)C2)no1
InChIInChI=1S/C13H18N2O4/c1-8-5-11(15-19-8)7-14-12(16)9-3-2-4-10(6-9)13(17)18/h5,9-10H,2-4,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyPJDQUCUVSCVXTG-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.49
Rot. Bonds4

About 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783675) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783675
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(CNC(=O)C2CCCC(C(=O)O)C2)no1
InChIInChI=1S/C13H18N2O4/c1-8-5-11(15-19-8)7-14-12(16)9-3-2-4-10(6-9)13(17)18/h5,9-10H,2-4,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyPJDQUCUVSCVXTG-UHFFFAOYSA-N
XLogP1.49
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide
CID 114423857
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
cis-(1R,3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-hydroxycyclohexane-1-carboxamide
CID 133268370
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
(1S,3R,4R)-4-(benzylcarbamoylamino)-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162626449
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63783675) is 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(CNC(=O)C2CCCC(C(=O)O)C2)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PJDQUCUVSCVXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-5-11(15-19-8)7-14-12(16)9-3-2-4-10(6-9)13(17)18/h5,9-10H,2-4,6-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).