[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate

C16H18N2O3 — CID 69173921

IUPAC[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cocn2)c1
InChIInChI=1S/C16H18N2O3/c19-16(18-13-6-2-1-3-7-13)21-14-8-4-5-12(9-14)15-10-20-11-17-15/h4-5,8-11,13H,1-3,6-7H2,(H,18,19)
InChIKeyRGDGQDPDGSDNDG-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.76
Rot. Bonds3

About [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate

[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate (PubChem CID 69173921) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate
PubChem CID69173921
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cocn2)c1
InChIInChI=1S/C16H18N2O3/c19-16(18-13-6-2-1-3-7-13)21-14-8-4-5-12(9-14)15-10-20-11-17-15/h4-5,8-11,13H,1-3,6-7H2,(H,18,19)
InChIKeyRGDGQDPDGSDNDG-UHFFFAOYSA-N
XLogP3.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate (CID 69173921) is [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cccc(-c2cocn2)c1.
What is the InChIKey of [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate?
The InChIKey is RGDGQDPDGSDNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(18-13-6-2-1-3-7-13)21-14-8-4-5-12(9-14)15-10-20-11-17-15/h4-5,8-11,13H,1-3,6-7H2,(H,18,19).
What are the key properties of [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate?
[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate has a molecular weight of 286.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 69173921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).