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

C19H18N2O4S — CID 1076534

IUPAC1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCOc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C19H18N2O4S/c1-23-15-7-3-13(4-8-15)11-18-20-21-19(25-18)26-12-17(22)14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyKHJHWKRZUOKNDJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.65
Rot. Bonds8

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

1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 1076534) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID1076534
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCOc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C19H18N2O4S/c1-23-15-7-3-13(4-8-15)11-18-20-21-19(25-18)26-12-17(22)14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyKHJHWKRZUOKNDJ-UHFFFAOYSA-N
XLogP3.65
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 1076534) is 1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is COc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is KHJHWKRZUOKNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-15-7-3-13(4-8-15)11-18-20-21-19(25-18)26-12-17(22)14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(4-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 370.43 g/mol, XLogP of 3.65, 8 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-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 1076534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).