N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline

C15H19N3O — CID 70002094

IUPACN-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
SMILESCc1nc(-c2cccc(NC3CCCCC3)c2)no1
InChIInChI=1S/C15H19N3O/c1-11-16-15(18-19-11)12-6-5-9-14(10-12)17-13-7-3-2-4-8-13/h5-6,9-10,13,17H,2-4,7-8H2,1H3
InChIKeyGZLFJUSFPXWCNO-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.79
Rot. Bonds3

About N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline

N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline (PubChem CID 70002094) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
PubChem CID70002094
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
SMILESCc1nc(-c2cccc(NC3CCCCC3)c2)no1
InChIInChI=1S/C15H19N3O/c1-11-16-15(18-19-11)12-6-5-9-14(10-12)17-13-7-3-2-4-8-13/h5-6,9-10,13,17H,2-4,7-8H2,1H3
InChIKeyGZLFJUSFPXWCNO-UHFFFAOYSA-N
XLogP3.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
CID 69174143
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
CID 43732033
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
CID 97008880
N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471248
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119741040

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The IUPAC name of N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline (CID 70002094) is N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline.
What is the SMILES notation for N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The canonical SMILES for N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline is Cc1nc(-c2cccc(NC3CCCCC3)c2)no1.
What is the InChIKey of N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The InChIKey is GZLFJUSFPXWCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-16-15(18-19-11)12-6-5-9-14(10-12)17-13-7-3-2-4-8-13/h5-6,9-10,13,17H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline is sourced from PubChem (CID 70002094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).