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

C17H23N3O — CID 64733940

IUPACN-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2ccccc2NC2CCC(C)C(C)C2)o1
InChIInChI=1S/C17H23N3O/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)17-20-19-13(3)21-17/h4-7,11-12,14,18H,8-10H2,1-3H3
InChIKeyLULLTKACJBVMEF-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.28
Rot. Bonds3

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

N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 64733940) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID64733940
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2ccccc2NC2CCC(C)C(C)C2)o1
InChIInChI=1S/C17H23N3O/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)17-20-19-13(3)21-17/h4-7,11-12,14,18H,8-10H2,1-3H3
InChIKeyLULLTKACJBVMEF-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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Related Compounds

N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
CID 43675543
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43675545
2-bromo-N-(3,4-dimethylcyclohexyl)aniline
CID 64731596
3-(cyclopropylamino)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867247
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide
CID 71925845
2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide
CID 64743862
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
N-[1-(1-methylcyclopropyl)ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675505
N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
CID 64733183
N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine
CID 64744055
1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 83084278
3-N-(3,4-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64733175

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 64733940) is N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is Cc1nnc(-c2ccccc2NC2CCC(C)C(C)C2)o1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is LULLTKACJBVMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)17-20-19-13(3)21-17/h4-7,11-12,14,18H,8-10H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-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-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 64733940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).