N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

C25H27N5O3 — CID 134042175

IUPACN-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(NC(=O)C5CC5)c4)CC3)n2)cc1
InChIInChI=1S/C25H27N5O3/c1-17-5-7-18(8-6-17)23-27-22(33-28-23)16-29-11-13-30(14-12-29)25(32)20-3-2-4-21(15-20)26-24(31)19-9-10-19/h2-8,15,19H,9-14,16H2,1H3,(H,26,31)
InChIKeyJUNXSXYODOAOHE-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.35
Rot. Bonds6

About N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 134042175) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID134042175
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(NC(=O)C5CC5)c4)CC3)n2)cc1
InChIInChI=1S/C25H27N5O3/c1-17-5-7-18(8-6-17)23-27-22(33-28-23)16-29-11-13-30(14-12-29)25(32)20-3-2-4-21(15-20)26-24(31)19-9-10-19/h2-8,15,19H,9-14,16H2,1H3,(H,26,31)
InChIKeyJUNXSXYODOAOHE-UHFFFAOYSA-N
XLogP3.35
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide 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-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55652059
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
N-[3-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616225
N-(3-bromophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114825
N-(3-acetylphenyl)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38146308
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 38141616
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 38144131
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 24611543
N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372
N-(3-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932815

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide (CID 134042175) is N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide is Cc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(NC(=O)C5CC5)c4)CC3)n2)cc1.
What is the InChIKey of N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is JUNXSXYODOAOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17-5-7-18(8-6-17)23-27-22(33-28-23)16-29-11-13-30(14-12-29)25(32)20-3-2-4-21(15-20)26-24(31)19-9-10-19/h2-8,15,19H,9-14,16H2,1H3,(H,26,31).
What are the key properties of N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134042175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).