N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide

C24H29N5O2 — CID 45281562

IUPACN-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-17-7-9-21(10-8-17)25-22(30)16-28-11-13-29(14-12-28)19(3)23-26-27-24(31-23)20-6-4-5-18(2)15-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,25,30)
InChIKeyMPJZLEMIUPSCGP-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.67
Rot. Bonds6

About N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide

N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide (PubChem CID 45281562) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
PubChem CID45281562
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-17-7-9-21(10-8-17)25-22(30)16-28-11-13-29(14-12-28)19(3)23-26-27-24(31-23)20-6-4-5-18(2)15-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,25,30)
InChIKeyMPJZLEMIUPSCGP-UHFFFAOYSA-N
XLogP3.67
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide 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

N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 30740204
N-(2-chlorophenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281670
N-(2-chlorophenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 30738031
2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45281627
N-phenyl-2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]acetamide
CID 55516747
2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 42948005
[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 8597061
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52532974
1-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 51111820
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 8597865

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide (CID 45281562) is N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(C(C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide?
The InChIKey is MPJZLEMIUPSCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-7-9-21(10-8-17)25-22(30)16-28-11-13-29(14-12-28)19(3)23-26-27-24(31-23)20-6-4-5-18(2)15-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,25,30).
What are the key properties of N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide?
N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 45281562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).