N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

C25H29N5O4S — CID 24614310

IUPACN-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)CCNC(=O)CCC(=O)c4cccs4)CC3)n2)cc1
InChIInChI=1S/C25H29N5O4S/c1-18-4-6-19(7-5-18)25-27-23(34-28-25)17-29-12-14-30(15-13-29)24(33)10-11-26-22(32)9-8-20(31)21-3-2-16-35-21/h2-7,16H,8-15,17H2,1H3,(H,26,32)
InChIKeyASRBPPOGJHWAEQ-UHFFFAOYSA-N
MW495.61 g/mol
LogP2.92
Rot. Bonds10

About N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 24614310) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID24614310
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)CCNC(=O)CCC(=O)c4cccs4)CC3)n2)cc1
InChIInChI=1S/C25H29N5O4S/c1-18-4-6-19(7-5-18)25-27-23(34-28-25)17-29-12-14-30(15-13-29)24(33)10-11-26-22(32)9-8-20(31)21-3-2-16-35-21/h2-7,16H,8-15,17H2,1H3,(H,26,32)
InChIKeyASRBPPOGJHWAEQ-UHFFFAOYSA-N
XLogP2.92
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide 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-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589397
1-(2,5-dimethylphenyl)-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butane-1,4-dione
CID 30126615
3-(4-methylphenyl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 16625869
1-(4-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butane-1,4-dione
CID 134042188
1-(2,5-dimethylthiophen-3-yl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butane-1,4-dione
CID 24611555
[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 18088783
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 134042328
2-amino-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119840001
4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide
CID 24590870
N-butyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 46508857
1-[3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 24614323
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55746218

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 24614310) is N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide is Cc1ccc(-c2noc(CN3CCN(C(=O)CCNC(=O)CCC(=O)c4cccs4)CC3)n2)cc1.
What is the InChIKey of N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is ASRBPPOGJHWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-18-4-6-19(7-5-18)25-27-23(34-28-25)17-29-12-14-30(15-13-29)24(33)10-11-26-22(32)9-8-20(31)21-3-2-16-35-21/h2-7,16H,8-15,17H2,1H3,(H,26,32).
What are the key properties of N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 495.61 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 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]piperazin-1-yl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 24614310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).