N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide

C25H24N6O3 — CID 68684136

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc5ccccc5c4)o3)cc2)CC1
InChIInChI=1S/C25H24N6O3/c1-17(32)30-12-14-31(15-13-30)22-10-8-20(9-11-22)26-23(33)24-28-29-25(34-24)27-21-7-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15H2,1H3,(H,26,33)(H,27,29)
InChIKeyIDBCRAFHFRKKQZ-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 68684136) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide
PubChem CID68684136
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc5ccccc5c4)o3)cc2)CC1
InChIInChI=1S/C25H24N6O3/c1-17(32)30-12-14-31(15-13-30)22-10-8-20(9-11-22)26-23(33)24-28-29-25(34-24)27-21-7-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15H2,1H3,(H,26,33)(H,27,29)
InChIKeyIDBCRAFHFRKKQZ-UHFFFAOYSA-N
XLogP3.89
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide 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-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(2,4,5-trifluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 68682202
N-[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 68682761
N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-[[2-(1-benzothiophen-3-yl)acetyl]amino]-1,3,4-oxadiazole-2-carboxamide
CID 15981023
5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 69190593
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1148416
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391990
4-bromo-N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 42767148
5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393326
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide
CID 11625416

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide (CID 68684136) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide is CC(=O)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc5ccccc5c4)o3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IDBCRAFHFRKKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-17(32)30-12-14-31(15-13-30)22-10-8-20(9-11-22)26-23(33)24-28-29-25(34-24)27-21-7-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15H2,1H3,(H,26,33)(H,27,29).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 68684136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).