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

C18H16N2O3S — CID 854790

IUPAC2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
SMILESCOc1ccc(Cc2nnc(SCC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-15-9-7-13(8-10-15)11-17-19-20-18(23-17)24-12-16(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyYWISOFMEHVAWDT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.64
Rot. Bonds7

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

2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone (PubChem CID 854790) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
PubChem CID854790
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
SMILESCOc1ccc(Cc2nnc(SCC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-15-9-7-13(8-10-15)11-17-19-20-18(23-17)24-12-16(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyYWISOFMEHVAWDT-UHFFFAOYSA-N
XLogP3.64
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone 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-(4-Methoxybenzyl)-5-phenyl-1,3,4-oxadiazole
CID 13004922
2-{[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}-1-phenylethanone
CID 2222060
2-(Benzylsulfanyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 811665
3-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 1280861
2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(4-methoxy-phenyl)-ethanone
CID 648707
2-(Ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 651410
2-[5-(3,5-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(3-methoxy-phenyl)-ethanone
CID 652632
2-{[5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-phenylethanone
CID 807935
[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid p-tolyl ester
CID 1128407
2-{[5-(3,5-Dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-phenylethan-1-one
CID 1261020
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 1326340
2-{[5-(2-Ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}-1-phenylethanone
CID 2240780

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone (CID 854790) is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone is COc1ccc(Cc2nnc(SCC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The InChIKey is YWISOFMEHVAWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-15-9-7-13(8-10-15)11-17-19-20-18(23-17)24-12-16(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone has a molecular weight of 340.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone is sourced from PubChem (CID 854790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).