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

C12H16N2O4 — CID 2862512

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCCC2C(=O)O)no1
InChIInChI=1S/C12H16N2O4/c1-7-6-10(14-18-7)13-11(15)8-4-2-3-5-9(8)12(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyGIPYUJSFJNPNKL-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.81
Rot. Bonds3

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

2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2862512) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2862512
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCCC2C(=O)O)no1
InChIInChI=1S/C12H16N2O4/c1-7-6-10(14-18-7)13-11(15)8-4-2-3-5-9(8)12(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyGIPYUJSFJNPNKL-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6937174
2-N-cycloheptyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139807
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 18071476
(1S,2S,3R,4S)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 18557878
(1R,2S,4S)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6593221
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40641940
(1S,2S,4R)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 1205649
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2862512) is 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(NC(=O)C2CCCCC2C(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GIPYUJSFJNPNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-6-10(14-18-7)13-11(15)8-4-2-3-5-9(8)12(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2862512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).