(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate

C20H14N2O4 — CID 2453261

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cc2ccccc2cc1O
InChIInChI=1S/C20H14N2O4/c23-17-11-15-9-5-4-8-14(15)10-16(17)20(24)25-12-18-21-22-19(26-18)13-6-2-1-3-7-13/h1-11,23H,12H2
InChIKeyFAAOSNGHUUXESD-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.95
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2453261) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate
PubChem CID2453261
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cc2ccccc2cc1O
InChIInChI=1S/C20H14N2O4/c23-17-11-15-9-5-4-8-14(15)10-16(17)20(24)25-12-18-21-22-19(26-18)13-6-2-1-3-7-13/h1-11,23H,12H2
InChIKeyFAAOSNGHUUXESD-UHFFFAOYSA-N
XLogP3.95
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate (CID 2453261) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1cc2ccccc2cc1O.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is FAAOSNGHUUXESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-17-11-15-9-5-4-8-14(15)10-16(17)20(24)25-12-18-21-22-19(26-18)13-6-2-1-3-7-13/h1-11,23H,12H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 346.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2453261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).