7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one

C17H10N2O4 — CID 135686641

IUPAC7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H10N2O4/c20-12-7-6-11-8-13(17(21)22-14(11)9-12)16-18-15(19-23-16)10-4-2-1-3-5-10/h1-9,20H
InChIKeyQWYNUESPBJXABI-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.22
Rot. Bonds2

About 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one

7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one (PubChem CID 135686641) has the molecular formula C17H10N2O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
PubChem CID135686641
Molecular FormulaC17H10N2O4
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H10N2O4/c20-12-7-6-11-8-13(17(21)22-14(11)9-12)16-18-15(19-23-16)10-4-2-1-3-5-10/h1-9,20H
InChIKeyQWYNUESPBJXABI-UHFFFAOYSA-N
XLogP3.22
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one?
The IUPAC name of 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one (CID 135686641) is 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one?
The canonical SMILES for 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one is O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one?
The InChIKey is QWYNUESPBJXABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O4/c20-12-7-6-11-8-13(17(21)22-14(11)9-12)16-18-15(19-23-16)10-4-2-1-3-5-10/h1-9,20H.
What are the key properties of 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one?
7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one has a molecular weight of 306.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one is sourced from PubChem (CID 135686641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).