N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

C24H29N5O2 — CID 50780259

IUPACN-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1C
InChIInChI=1S/C24H29N5O2/c1-16(2)23-26-22(27-31-23)19-6-9-21(10-7-19)28-11-13-29(14-12-28)24(30)25-20-8-5-17(3)18(4)15-20/h5-10,15-16H,11-14H2,1-4H3,(H,25,30)
InChIKeyWQZZHFKFZWXFDC-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.83
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide (PubChem CID 50780259) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
PubChem CID50780259
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1C
InChIInChI=1S/C24H29N5O2/c1-16(2)23-26-22(27-31-23)19-6-9-21(10-7-19)28-11-13-29(14-12-28)24(30)25-20-8-5-17(3)18(4)15-20/h5-10,15-16H,11-14H2,1-4H3,(H,25,30)
InChIKeyWQZZHFKFZWXFDC-UHFFFAOYSA-N
XLogP4.83
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide 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-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780396
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 50780460
4-[4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-ethylpiperazine-1-carboxamide
CID 50780262
N-(3,4-dimethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780215
N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide
CID 50780378
4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111704
methyl 4-[[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 50780390
N-(4-ethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780303
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 7283792
N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide (CID 50780259) is N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is WQZZHFKFZWXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16(2)23-26-22(27-31-23)19-6-9-21(10-7-19)28-11-13-29(14-12-28)24(30)25-20-8-5-17(3)18(4)15-20/h5-10,15-16H,11-14H2,1-4H3,(H,25,30).
What are the key properties of N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 50780259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).