N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine

C23H26ClN3O — CID 71573795

IUPACN-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1ccccc1)C(c1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1
InChIInChI=1S/C23H26ClN3O/c1-27(16-17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)23-26-25-22(28-23)19-12-14-20(24)15-13-19/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11,16H2,1H3
InChIKeyMGSBPRRNQKYPKX-UHFFFAOYSA-N
MW395.93 g/mol
LogP6.14
Rot. Bonds6

About N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine

N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine (PubChem CID 71573795) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine
PubChem CID71573795
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC NameN-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1ccccc1)C(c1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1
InChIInChI=1S/C23H26ClN3O/c1-27(16-17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)23-26-25-22(28-23)19-12-14-20(24)15-13-19/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11,16H2,1H3
InChIKeyMGSBPRRNQKYPKX-UHFFFAOYSA-N
XLogP6.14
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-5-[(R)-(4-cyclohexylpiperazin-1-yl)-phenylmethyl]-1,3,4-oxadiazole
CID 92724533
2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole
CID 43913123
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
CID 22432864
2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 24854250
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 63644262
(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2123355
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 17442700
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 51171811

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine (CID 71573795) is N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine is CN(Cc1ccccc1)C(c1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1.
What is the InChIKey of N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine?
The InChIKey is MGSBPRRNQKYPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-27(16-17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)23-26-25-22(28-23)19-12-14-20(24)15-13-19/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11,16H2,1H3.
What are the key properties of N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine?
N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine has a molecular weight of 395.93 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 71573795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).