3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H18N2O4 — CID 63044187

IUPAC3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1noc(C)c1C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-7-11(8(2)19-15-7)12(16)14-10-5-3-4-9(6-10)13(17)18/h9-10H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQPROXKIGGKUYIN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.66
Rot. Bonds3

About 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63044187) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63044187
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1noc(C)c1C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-7-11(8(2)19-15-7)12(16)14-10-5-3-4-9(6-10)13(17)18/h9-10H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQPROXKIGGKUYIN-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42887904
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042988
3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63043268
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide
CID 100716037
3,5-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 124573326
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43594257
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63044187) is 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1noc(C)c1C(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QPROXKIGGKUYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-11(8(2)19-15-7)12(16)14-10-5-3-4-9(6-10)13(17)18/h9-10H,3-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).