3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H18N2O4 — CID 61289960

IUPAC3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCC(C)C2)on1
InChIInChI=1S/C13H18N2O4/c1-8-4-3-5-13(7-8,12(17)18)14-11(16)10-6-9(2)15-19-10/h6,8H,3-5,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVPEIMRIZXGXLPR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds3

About 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61289960) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61289960
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCC(C)C2)on1
InChIInChI=1S/C13H18N2O4/c1-8-4-3-5-13(7-8,12(17)18)14-11(16)10-6-9(2)15-19-10/h6,8H,3-5,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVPEIMRIZXGXLPR-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752561
2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61292644
1-[(3,5-dibromobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 107971328
1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760450
1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290910
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930043
1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291254
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115877949
3-methyl-1-[(6-oxopyran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61290142
N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55082649
1-[(2,4-difluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290502
3-methyl-1-[(3-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 103510492

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61289960) is 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2(C(=O)O)CCCC(C)C2)on1.
What is the InChIKey of 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VPEIMRIZXGXLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-4-3-5-13(7-8,12(17)18)14-11(16)10-6-9(2)15-19-10/h6,8H,3-5,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61289960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).