N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H25N5O2S — CID 56517219

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN1CCN(c2ccccc2CNC(=O)CCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C21H25N5O2S/c1-25-10-12-26(13-11-25)17-6-3-2-5-16(17)15-22-19(27)8-9-20-23-21(24-28-20)18-7-4-14-29-18/h2-7,14H,8-13,15H2,1H3,(H,22,27)
InChIKeyWTPQOZFHWFFERZ-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.80
Rot. Bonds7

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 56517219) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID56517219
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN1CCN(c2ccccc2CNC(=O)CCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C21H25N5O2S/c1-25-10-12-26(13-11-25)17-6-3-2-5-16(17)15-22-19(27)8-9-20-23-21(24-28-20)18-7-4-14-29-18/h2-7,14H,8-13,15H2,1H3,(H,22,27)
InChIKeyWTPQOZFHWFFERZ-UHFFFAOYSA-N
XLogP2.80
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
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N-(3-aminobutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 56517219) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CN1CCN(c2ccccc2CNC(=O)CCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is WTPQOZFHWFFERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-25-10-12-26(13-11-25)17-6-3-2-5-16(17)15-22-19(27)8-9-20-23-21(24-28-20)18-7-4-14-29-18/h2-7,14H,8-13,15H2,1H3,(H,22,27).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 411.53 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 56517219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).