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

C17H14N2O3S — CID 807935

IUPAC2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
SMILESCOc1ccccc1-c1nnc(SCC(=O)c2ccccc2)o1
InChIInChI=1S/C17H14N2O3S/c1-21-15-10-6-5-9-13(15)16-18-19-17(22-16)23-11-14(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyUXGBWQOJWBHMHF-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.72
Rot. Bonds6

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

2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone (PubChem CID 807935) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
PubChem CID807935
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
SMILESCOc1ccccc1-c1nnc(SCC(=O)c2ccccc2)o1
InChIInChI=1S/C17H14N2O3S/c1-21-15-10-6-5-9-13(15)16-18-19-17(22-16)23-11-14(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyUXGBWQOJWBHMHF-UHFFFAOYSA-N
XLogP3.72
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74643
1,3,4-Oxadiazole, 2-amino-5-(o-methoxyphenyl)-
CID 201251
2-(4-Methoxybenzyl)-5-phenyl-1,3,4-oxadiazole
CID 13004922
2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (2,6-dimethylphenyl) ester
CID 1114731
Methyl 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl ether
CID 828055
2-[2-(Trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744762
Isopropyl {[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetate
CID 673462
2-(Benzylsulfanyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 811665
2-Methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44142083
4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44460136
2-(4-Fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 834024
2-(2-Methoxyphenyl)-1,3,4-oxadiazole
CID 17608697

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone (CID 807935) is 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone is COc1ccccc1-c1nnc(SCC(=O)c2ccccc2)o1.
What is the InChIKey of 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The InChIKey is UXGBWQOJWBHMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-21-15-10-6-5-9-13(15)16-18-19-17(22-16)23-11-14(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone has a molecular weight of 326.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone is sourced from PubChem (CID 807935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).