2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C17H20N2O5 — CID 69173922

IUPAC2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(NC1CCCCC1)Oc1cccc(C2=NC(C(=O)O)CO2)c1
InChIInChI=1S/C17H20N2O5/c20-16(21)14-10-23-15(19-14)11-5-4-8-13(9-11)24-17(22)18-12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H,18,22)(H,20,21)
InChIKeyHSKDHUIVBLQQHL-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.34
Rot. Bonds4

About 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid

2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 69173922) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID69173922
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(NC1CCCCC1)Oc1cccc(C2=NC(C(=O)O)CO2)c1
InChIInChI=1S/C17H20N2O5/c20-16(21)14-10-23-15(19-14)11-5-4-8-13(9-11)24-17(22)18-12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H,18,22)(H,20,21)
InChIKeyHSKDHUIVBLQQHL-UHFFFAOYSA-N
XLogP2.34
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate
CID 69173921
phenyl N-cyclooctylcarbamate
CID 60636968
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
CID 69174143
[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate
CID 11405051
phenyl N-cyclopentylcarbamate
CID 12791466
[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate
CID 87277524
3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide
CID 59510746
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
ethyl 3-[3-(cyclohexylcarbamoyloxy)phenyl]-1-phenylpyrazole-5-carboxylate
CID 118736191
methyl 2-[4-[3-(cyclohexylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoate
CID 90036113
[4-(cyclohexylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-cyclohexylcarbamate
CID 19886756

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 69173922) is 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid is O=C(NC1CCCCC1)Oc1cccc(C2=NC(C(=O)O)CO2)c1.
What is the InChIKey of 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is HSKDHUIVBLQQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-16(21)14-10-23-15(19-14)11-5-4-8-13(9-11)24-17(22)18-12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H,18,22)(H,20,21).
What are the key properties of 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 69173922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).