N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline

C15H19N3O — CID 43206385

IUPACN-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC1CCCCC1Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H19N3O/c1-11-4-2-3-5-14(11)17-13-8-6-12(7-9-13)15-18-16-10-19-15/h6-11,14,17H,2-5H2,1H3
InChIKeyVDAJPIGMLGGCAC-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.73
Rot. Bonds3

About N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline

N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43206385) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43206385
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC1CCCCC1Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H19N3O/c1-11-4-2-3-5-14(11)17-13-8-6-12(7-9-13)15-18-16-10-19-15/h6-11,14,17H,2-5H2,1H3
InChIKeyVDAJPIGMLGGCAC-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline (CID 43206385) is N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline is CC1CCCCC1Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is VDAJPIGMLGGCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-2-3-5-14(11)17-13-8-6-12(7-9-13)15-18-16-10-19-15/h6-11,14,17H,2-5H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline?
N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43206385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).