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

C14H20N2O4 — CID 64813133

IUPAC2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1noc(C)c1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10-12(8(2)20-16-10)13(17)15-11-7-5-4-6-9(11)14(18)19/h9,11H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyJKOPDTJJQHUYRK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.92
Rot. Bonds4

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

2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64813133) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64813133
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1noc(C)c1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10-12(8(2)20-16-10)13(17)15-11-7-5-4-6-9(11)14(18)19/h9,11H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyJKOPDTJJQHUYRK-UHFFFAOYSA-N
XLogP1.92
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812677
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91781523
3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide
CID 97314194
3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide
CID 47734044
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
N-(3,3-dimethylcyclopentyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 115882523
3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 42556906
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 91772759
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64813133) is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CCc1noc(C)c1C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JKOPDTJJQHUYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10-12(8(2)20-16-10)13(17)15-11-7-5-4-6-9(11)14(18)19/h9,11H,3-7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64813133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).