[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate

C16H19N3O3 — CID 69174143

IUPAC[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
SMILESCc1nc(-c2cccc(OC(=O)NC3CCCCC3)c2)no1
InChIInChI=1S/C16H19N3O3/c1-11-17-15(19-22-11)12-6-5-9-14(10-12)21-16(20)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyJRIKSMQDDYEEAX-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.47
Rot. Bonds3

About [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate

[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate (PubChem CID 69174143) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
PubChem CID69174143
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
SMILESCc1nc(-c2cccc(OC(=O)NC3CCCCC3)c2)no1
InChIInChI=1S/C16H19N3O3/c1-11-17-15(19-22-11)12-6-5-9-14(10-12)21-16(20)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyJRIKSMQDDYEEAX-UHFFFAOYSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate
CID 69173921
N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 70002094
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471248
2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 69173922
(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723646
[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate
CID 11405051
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate
CID 87277524
phenyl N-cyclooctylcarbamate
CID 60636968
(2S)-N-cyclohexyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7364645

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate (CID 69174143) is [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate is Cc1nc(-c2cccc(OC(=O)NC3CCCCC3)c2)no1.
What is the InChIKey of [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate?
The InChIKey is JRIKSMQDDYEEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-17-15(19-22-11)12-6-5-9-14(10-12)21-16(20)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate?
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate has a molecular weight of 301.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 69174143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).