3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide

C23H27N5O3 — CID 53159478

IUPAC3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide
SMILESCOc1cccc(C(=O)NC(Cc2ccccc2)c2nnc(N3CCN(C)CC3)o2)c1
InChIInChI=1S/C23H27N5O3/c1-27-11-13-28(14-12-27)23-26-25-22(31-23)20(15-17-7-4-3-5-8-17)24-21(29)18-9-6-10-19(16-18)30-2/h3-10,16,20H,11-15H2,1-2H3,(H,24,29)
InChIKeyCFSDICDQMBGBPK-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.54
Rot. Bonds7

About 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide

3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide (PubChem CID 53159478) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide
PubChem CID53159478
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide
SMILESCOc1cccc(C(=O)NC(Cc2ccccc2)c2nnc(N3CCN(C)CC3)o2)c1
InChIInChI=1S/C23H27N5O3/c1-27-11-13-28(14-12-27)23-26-25-22(31-23)20(15-17-7-4-3-5-8-17)24-21(29)18-9-6-10-19(16-18)30-2/h3-10,16,20H,11-15H2,1-2H3,(H,24,29)
InChIKeyCFSDICDQMBGBPK-UHFFFAOYSA-N
XLogP2.54
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide 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-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide
CID 9185776
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide
CID 95099612
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099644
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099643
2-methoxy-N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159460
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]propanamide
CID 53159526
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,6-difluorobenzamide
CID 53159519
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2-methylpropanamide
CID 53159528
2-methoxy-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159565
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide
CID 95099631
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide (CID 53159478) is 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide is COc1cccc(C(=O)NC(Cc2ccccc2)c2nnc(N3CCN(C)CC3)o2)c1.
What is the InChIKey of 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide?
The InChIKey is CFSDICDQMBGBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27-11-13-28(14-12-27)23-26-25-22(31-23)20(15-17-7-4-3-5-8-17)24-21(29)18-9-6-10-19(16-18)30-2/h3-10,16,20H,11-15H2,1-2H3,(H,24,29).
What are the key properties of 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide?
3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide has a molecular weight of 421.50 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide is sourced from PubChem (CID 53159478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).