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

C19H12N2O5 — CID 2103682

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H12N2O5/c22-14-10-16(25-15-9-5-4-8-13(14)15)19(23)24-11-17-20-21-18(26-17)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyLLLNAMBRGWSEIH-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.20
Rot. Bonds4

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate (PubChem CID 2103682) has the molecular formula C19H12N2O5 and a molecular weight of 348.31 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate
PubChem CID2103682
Molecular FormulaC19H12N2O5
Molecular Weight348.31 g/mol
Exact Mass348.07
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H12N2O5/c22-14-10-16(25-15-9-5-4-8-13(14)15)19(23)24-11-17-20-21-18(26-17)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyLLLNAMBRGWSEIH-UHFFFAOYSA-N
XLogP3.20
TPSA95.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate (CID 2103682) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate?
The InChIKey is LLLNAMBRGWSEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O5/c22-14-10-16(25-15-9-5-4-8-13(14)15)19(23)24-11-17-20-21-18(26-17)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate has a molecular weight of 348.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2103682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).