7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one

C19H13NO3 — CID 162687746

IUPAC7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one
SMILESCc1ccc2cc(-c3nc(-c4ccccc4)co3)c(=O)oc2c1
InChIInChI=1S/C19H13NO3/c1-12-7-8-14-10-15(19(21)23-17(14)9-12)18-20-16(11-22-18)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyZKPDEFHBUVCUBM-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.42
Rot. Bonds2

About 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one

7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one (PubChem CID 162687746) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one
PubChem CID162687746
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one
SMILESCc1ccc2cc(-c3nc(-c4ccccc4)co3)c(=O)oc2c1
InChIInChI=1S/C19H13NO3/c1-12-7-8-14-10-15(19(21)23-17(14)9-12)18-20-16(11-22-18)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyZKPDEFHBUVCUBM-UHFFFAOYSA-N
XLogP4.42
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one?
The IUPAC name of 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one (CID 162687746) is 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one.
What is the SMILES notation for 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one?
The canonical SMILES for 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one is Cc1ccc2cc(-c3nc(-c4ccccc4)co3)c(=O)oc2c1.
What is the InChIKey of 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one?
The InChIKey is ZKPDEFHBUVCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-12-7-8-14-10-15(19(21)23-17(14)9-12)18-20-16(11-22-18)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one?
7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one has a molecular weight of 303.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one is sourced from PubChem (CID 162687746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).