7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one

C19H13NO4 — CID 137250269

IUPAC7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(-c3oncc3-c3ccccc3)cc12
InChIInChI=1S/C19H13NO4/c1-11-7-18(22)23-17-9-16(21)14(8-13(11)17)19-15(10-20-24-19)12-5-3-2-4-6-12/h2-10,21H,1H3
InChIKeyGZLPHHICNJMHLL-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.13
Rot. Bonds2

About 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one

7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one (PubChem CID 137250269) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one
PubChem CID137250269
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(-c3oncc3-c3ccccc3)cc12
InChIInChI=1S/C19H13NO4/c1-11-7-18(22)23-17-9-16(21)14(8-13(11)17)19-15(10-20-24-19)12-5-3-2-4-6-12/h2-10,21H,1H3
InChIKeyGZLPHHICNJMHLL-UHFFFAOYSA-N
XLogP4.13
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411
6-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-7-hydroxy-4-methylchromen-2-one
CID 137228410
5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)phenol
CID 135657525
6-tert-butyl-7-hydroxy-4-methylchromen-2-one
CID 71417823
5-bromo-4-methyl-6-phenylpyran-2-one
CID 121010886
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
6-hydroxy-4-methyl-7-nitrochromen-2-one
CID 10987809
dimethyltin;4-methylchromen-2-one
CID 175284443
7-(ethylamino)-6-methyl-4-phenylchromen-2-one
CID 158924027
6,7-bis(2-hydroxyethyl)-4-methylchromen-2-one
CID 19392051
7-anilino-4-methylchromen-2-one
CID 804341
4-[[bis(2-methylpropyl)amino]methyl]-6-hydroxy-7-phenylchromen-2-one
CID 2006230

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one (CID 137250269) is 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one is Cc1cc(=O)oc2cc(O)c(-c3oncc3-c3ccccc3)cc12.
What is the InChIKey of 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one?
The InChIKey is GZLPHHICNJMHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-11-7-18(22)23-17-9-16(21)14(8-13(11)17)19-15(10-20-24-19)12-5-3-2-4-6-12/h2-10,21H,1H3.
What are the key properties of 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one?
7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one has a molecular weight of 319.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one is sourced from PubChem (CID 137250269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).