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

C17H23N3O — CID 64752123

IUPACN-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccccc2NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C17H23N3O/c1-11-8-12(2)10-14(9-11)19-16-7-5-4-6-15(16)17-18-13(3)20-21-17/h4-7,11-12,14,19H,8-10H2,1-3H3
InChIKeyBLOIXCANMFXBMX-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.28
Rot. Bonds3

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

N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 64752123) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID64752123
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccccc2NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C17H23N3O/c1-11-8-12(2)10-14(9-11)19-16-7-5-4-6-15(16)17-18-13(3)20-21-17/h4-7,11-12,14,19H,8-10H2,1-3H3
InChIKeyBLOIXCANMFXBMX-UHFFFAOYSA-N
XLogP4.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 64752123) is N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2ccccc2NC2CC(C)CC(C)C2)n1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is BLOIXCANMFXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-8-12(2)10-14(9-11)19-16-7-5-4-6-15(16)17-18-13(3)20-21-17/h4-7,11-12,14,19H,8-10H2,1-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 64752123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).