N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C24H29N5O2 — CID 36592874

IUPACN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCN1CCN(c2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)cc2C)CC1
InChIInChI=1S/C24H29N5O2/c1-3-28-13-15-29(16-14-28)21-10-9-20(17-18(21)2)25-22(30)11-12-23-26-27-24(31-23)19-7-5-4-6-8-19/h4-10,17H,3,11-16H2,1-2H3,(H,25,30)
InChIKeyYKUHRRBOWFMMNN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.76
Rot. Bonds7

About N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 36592874) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID36592874
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCN1CCN(c2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)cc2C)CC1
InChIInChI=1S/C24H29N5O2/c1-3-28-13-15-29(16-14-28)21-10-9-20(17-18(21)2)25-22(30)11-12-23-26-27-24(31-23)19-7-5-4-6-8-19/h4-10,17H,3,11-16H2,1-2H3,(H,25,30)
InChIKeyYKUHRRBOWFMMNN-UHFFFAOYSA-N
XLogP3.76
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
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3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 134013000
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
CID 30006017
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 36592874) is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CCN1CCN(c2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)cc2C)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is YKUHRRBOWFMMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-28-13-15-29(16-14-28)21-10-9-20(17-18(21)2)25-22(30)11-12-23-26-27-24(31-23)19-7-5-4-6-8-19/h4-10,17H,3,11-16H2,1-2H3,(H,25,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 36592874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).