3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid

C13H18N2O4 — CID 107369564

IUPAC3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(NC(=O)c1cc(C(=O)O)on1)C1CCCCC1
InChIInChI=1S/C13H18N2O4/c1-8(9-5-3-2-4-6-9)14-12(16)10-7-11(13(17)18)19-15-10/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyVRIBUDJKIQUTNT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.07
Rot. Bonds4

About 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid

3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107369564) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107369564
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(NC(=O)c1cc(C(=O)O)on1)C1CCCCC1
InChIInChI=1S/C13H18N2O4/c1-8(9-5-3-2-4-6-9)14-12(16)10-7-11(13(17)18)19-15-10/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyVRIBUDJKIQUTNT-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
3-(2,2-dicyclopropylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369748
6-chloro-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 106551401
3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369962
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739
6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide
CID 55069123
5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid
CID 117218137
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369401
6-amino-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 114035892
3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369563

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid (CID 107369564) is 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is CC(NC(=O)c1cc(C(=O)O)on1)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is VRIBUDJKIQUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(9-5-3-2-4-6-9)14-12(16)10-7-11(13(17)18)19-15-10/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid?
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).