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

C13H18N2O4 — CID 119168058

IUPAC1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1ocnc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O4/c1-2-9-10(14-8-19-9)11(16)15-13(12(17)18)6-4-3-5-7-13/h8H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyQVIRSAVVEIHNQN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds4

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

1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119168058) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119168058
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1ocnc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O4/c1-2-9-10(14-8-19-9)11(16)15-13(12(17)18)6-4-3-5-7-13/h8H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyQVIRSAVVEIHNQN-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 119217767
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide
CID 139008423
1-(1H-1,2,4-triazole-5-carbonylamino)cycloheptane-1-carboxylic acid
CID 63653820
N-(1-carbamoylcyclohexyl)-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 154736486
1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71938400
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
1-[(3-ethoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120539178
5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide
CID 167869532

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119168058) is 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CCc1ocnc1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QVIRSAVVEIHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-9-10(14-8-19-9)11(16)15-13(12(17)18)6-4-3-5-7-13/h8H,2-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119168058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).