3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one

C16H11Cl3N2O3 — CID 18779842

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(Cl)cc1Cn1nc(-c2cc(Cl)cc(Cl)c2)oc1=O
InChIInChI=1S/C16H11Cl3N2O3/c1-23-14-3-2-11(17)6-10(14)8-21-16(22)24-15(20-21)9-4-12(18)7-13(19)5-9/h2-7H,8H2,1H3
InChIKeySBJKIJJIAJCPFL-UHFFFAOYSA-N
MW385.63 g/mol
LogP4.52
Rot. Bonds4

About 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one

3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 18779842) has the molecular formula C16H11Cl3N2O3 and a molecular weight of 385.63 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID18779842
Molecular FormulaC16H11Cl3N2O3
Molecular Weight385.63 g/mol
Exact Mass383.98
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(Cl)cc1Cn1nc(-c2cc(Cl)cc(Cl)c2)oc1=O
InChIInChI=1S/C16H11Cl3N2O3/c1-23-14-3-2-11(17)6-10(14)8-21-16(22)24-15(20-21)9-4-12(18)7-13(19)5-9/h2-7H,8H2,1H3
InChIKeySBJKIJJIAJCPFL-UHFFFAOYSA-N
XLogP4.52
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one (CID 18779842) is 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one is COc1ccc(Cl)cc1Cn1nc(-c2cc(Cl)cc(Cl)c2)oc1=O.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is SBJKIJJIAJCPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O3/c1-23-14-3-2-11(17)6-10(14)8-21-16(22)24-15(20-21)9-4-12(18)7-13(19)5-9/h2-7H,8H2,1H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one?
3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 385.63 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 18779842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).