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

C20H25N5O4 — CID 110427087

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)Cc2nc(-c3ccccc3C)no2)CC1
InChIInChI=1S/C20H25N5O4/c1-14-5-3-4-6-16(14)20-22-18(29-23-20)13-17(27)21-8-7-19(28)25-11-9-24(10-12-25)15(2)26/h3-6H,7-13H2,1-2H3,(H,21,27)
InChIKeySTTRXOHXSPYBMK-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.78
Rot. Bonds6

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

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 110427087) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID110427087
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)Cc2nc(-c3ccccc3C)no2)CC1
InChIInChI=1S/C20H25N5O4/c1-14-5-3-4-6-16(14)20-22-18(29-23-20)13-17(27)21-8-7-19(28)25-11-9-24(10-12-25)15(2)26/h3-6H,7-13H2,1-2H3,(H,21,27)
InChIKeySTTRXOHXSPYBMK-UHFFFAOYSA-N
XLogP0.78
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-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

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 3747520
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611909
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110632426
N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611296
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 110414490
methyl 2-[3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]sulfanylacetate
CID 56568035
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110626396
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 17101262
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110323644
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110424869
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide (CID 110427087) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide is CC(=O)N1CCN(C(=O)CCNC(=O)Cc2nc(-c3ccccc3C)no2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is STTRXOHXSPYBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-14-5-3-4-6-16(14)20-22-18(29-23-20)13-17(27)21-8-7-19(28)25-11-9-24(10-12-25)15(2)26/h3-6H,7-13H2,1-2H3,(H,21,27).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 110427087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).