2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide

C15H11N5O4S — CID 1259978

IUPAC2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccn1
InChIInChI=1S/C15H11N5O4S/c21-13(17-12-3-1-2-8-16-12)9-25-15-19-18-14(24-15)10-4-6-11(7-5-10)20(22)23/h1-8H,9H2,(H,16,17,21)
InChIKeyWWUYWTAPPDQRGR-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.77
Rot. Bonds6

About 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide

2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 1259978) has the molecular formula C15H11N5O4S and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID1259978
Molecular FormulaC15H11N5O4S
Molecular Weight357.35 g/mol
Exact Mass357.05
IUPAC Name2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccn1
InChIInChI=1S/C15H11N5O4S/c21-13(17-12-3-1-2-8-16-12)9-25-15-19-18-14(24-15)10-4-6-11(7-5-10)20(22)23/h1-8H,9H2,(H,16,17,21)
InChIKeyWWUYWTAPPDQRGR-UHFFFAOYSA-N
XLogP2.77
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide 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-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
CID 71578658
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 974448
N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56668409
2-(4-Nitrophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162654477
4-[5-[2-(2-Methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline
CID 52911857
2-[2-(2-Methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 71584214
2-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl N-(pyridin-3-ylmethyl)carbamodithioate
CID 127028454
2-Methyl-5-[[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine
CID 127032642
[4-[5-(4-Pyridylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl]thiourea
CID 54764496
N,N-dimethyl-4-[5-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline
CID 52911804
5-(4-nitrophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
CID 162671813
2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylpyrimidin-2-yl)acetamide
CID 168295031

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide (CID 1259978) is 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide is O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccn1.
What is the InChIKey of 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is WWUYWTAPPDQRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O4S/c21-13(17-12-3-1-2-8-16-12)9-25-15-19-18-14(24-15)10-4-6-11(7-5-10)20(22)23/h1-8H,9H2,(H,16,17,21).
What are the key properties of 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide?
2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 357.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1259978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).