1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C16H13N3O3S — CID 851252

IUPAC1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc(C(=O)CSc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C16H13N3O3S/c1-21-13-4-2-11(3-5-13)14(20)10-23-16-19-18-15(22-16)12-6-8-17-9-7-12/h2-9H,10H2,1H3
InChIKeyXZJIQZUWYDWKGA-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 851252) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID851252
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc(C(=O)CSc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C16H13N3O3S/c1-21-13-4-2-11(3-5-13)14(20)10-23-16-19-18-15(22-16)12-6-8-17-9-7-12/h2-9H,10H2,1H3
InChIKeyXZJIQZUWYDWKGA-UHFFFAOYSA-N
XLogP3.12
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone 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

Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
Methyl 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 888648
2-[4-({[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)phenyl]acetic acid
CID 6539718
Methyl 3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate
CID 6539735
Isonicotinic acid N'-{2-[5-(4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetyl}-hydrazide
CID 135693225
N-(2-methoxyphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 662138
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2948216
4-[5-(4-Ethoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647166
4-[5-(4-Isobutoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647974
1-Phenyl-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
CID 3136305
2-[[4-(4-Methoxyphenyl)phenyl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212403
2-[(4-Methoxyphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 76321807

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 851252) is 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is COc1ccc(C(=O)CSc2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is XZJIQZUWYDWKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-21-13-4-2-11(3-5-13)14(20)10-23-16-19-18-15(22-16)12-6-8-17-9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 327.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 851252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).