2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole

C13H7ClN4O3S — CID 6493026

IUPAC2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccnc1Sc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C13H7ClN4O3S/c14-9-4-1-3-8(7-9)11-16-17-13(21-11)22-12-10(18(19)20)5-2-6-15-12/h1-7H
InChIKeyWSVNMBCDZLLREZ-UHFFFAOYSA-N
MW334.74 g/mol
LogP3.84
Rot. Bonds4

About 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole (PubChem CID 6493026) has the molecular formula C13H7ClN4O3S and a molecular weight of 334.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
PubChem CID6493026
Molecular FormulaC13H7ClN4O3S
Molecular Weight334.74 g/mol
Exact Mass333.99
IUPAC Name2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccnc1Sc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C13H7ClN4O3S/c14-9-4-1-3-8(7-9)11-16-17-13(21-11)22-12-10(18(19)20)5-2-6-15-12/h1-7H
InChIKeyWSVNMBCDZLLREZ-UHFFFAOYSA-N
XLogP3.84
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole 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

2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone
CID 7533953
3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole
CID 14182087
2-(5,7-dinitroquinolin-8-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 30023550
2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine
CID 9337532
2-(3-chlorophenyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 9382570
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
CID 56810536
2-(4-chloro-2-nitrophenyl)sulfanyl-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 9335813
2-(3-chlorophenyl)-5-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 133331535
2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole
CID 133427660
2-(3-chlorophenyl)-5-(4-methoxypyrimidin-2-yl)sulfanyl-1,3,4-oxadiazole
CID 78844273
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 39357852

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole (CID 6493026) is 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole is O=[N+]([O-])c1cccnc1Sc1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole?
The InChIKey is WSVNMBCDZLLREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O3S/c14-9-4-1-3-8(7-9)11-16-17-13(21-11)22-12-10(18(19)20)5-2-6-15-12/h1-7H.
What are the key properties of 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole has a molecular weight of 334.74 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 6493026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).