1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C16H11Cl3N2O2 — CID 127029593

IUPAC1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2O2/c1-9(22)21-16(11-4-7-13(18)14(19)8-11)23-15(20-21)10-2-5-12(17)6-3-10/h2-8,16H,1H3/t16-/m1/s1
InChIKeyNXFBQGHZUYEBSV-MRXNPFEDSA-N
MW369.64 g/mol
LogP4.89
Rot. Bonds2

About 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 127029593) has the molecular formula C16H11Cl3N2O2 and a molecular weight of 369.64 g/mol. Its IUPAC name is 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID127029593
Molecular FormulaC16H11Cl3N2O2
Molecular Weight369.64 g/mol
Exact Mass367.99
IUPAC Name1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2O2/c1-9(22)21-16(11-4-7-13(18)14(19)8-11)23-15(20-21)10-2-5-12(17)6-3-10/h2-8,16H,1H3/t16-/m1/s1
InChIKeyNXFBQGHZUYEBSV-MRXNPFEDSA-N
XLogP4.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 127029593) is 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is NXFBQGHZUYEBSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2/c1-9(22)21-16(11-4-7-13(18)14(19)8-11)23-15(20-21)10-2-5-12(17)6-3-10/h2-8,16H,1H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 369.64 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 127029593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).