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

C17H23N3O — CID 81303113

IUPAC4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline
SMILESCC1CC(C)(C)CCC1Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C17H23N3O/c1-12-10-17(2,3)9-8-15(12)19-14-6-4-13(5-7-14)16-20-18-11-21-16/h4-7,11-12,15,19H,8-10H2,1-3H3
InChIKeyKXLZOLCDRSQGAP-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.36
Rot. Bonds3

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

4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline (PubChem CID 81303113) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline
PubChem CID81303113
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline
SMILESCC1CC(C)(C)CCC1Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C17H23N3O/c1-12-10-17(2,3)9-8-15(12)19-14-6-4-13(5-7-14)16-20-18-11-21-16/h4-7,11-12,15,19H,8-10H2,1-3H3
InChIKeyKXLZOLCDRSQGAP-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline?
The IUPAC name of 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline (CID 81303113) is 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline.
What is the SMILES notation for 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline?
The canonical SMILES for 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline is CC1CC(C)(C)CCC1Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline?
The InChIKey is KXLZOLCDRSQGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-10-17(2,3)9-8-15(12)19-14-6-4-13(5-7-14)16-20-18-11-21-16/h4-7,11-12,15,19H,8-10H2,1-3H3.
What are the key properties of 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline?
4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline is sourced from PubChem (CID 81303113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).