(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate

C17H13ClN2O3 — CID 2079860

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13ClN2O3/c18-14-8-6-12(7-9-14)10-16(21)22-11-15-19-20-17(23-15)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyNQLDMSKMCORQQS-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.68
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate (PubChem CID 2079860) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate
PubChem CID2079860
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13ClN2O3/c18-14-8-6-12(7-9-14)10-16(21)22-11-15-19-20-17(23-15)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyNQLDMSKMCORQQS-UHFFFAOYSA-N
XLogP3.68
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate (CID 2079860) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate?
The InChIKey is NQLDMSKMCORQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-14-8-6-12(7-9-14)10-16(21)22-11-15-19-20-17(23-15)13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate has a molecular weight of 328.76 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2079860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).