7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one

C20H15NO4 — CID 164524469

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one
SMILESCc1noc(C)c1-c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C20H15NO4/c1-11-19(12(2)25-21-11)14-8-15(22)20-16(23)10-17(24-18(20)9-14)13-6-4-3-5-7-13/h3-10,22H,1-2H3
InChIKeyODPZOVMEPGSOGH-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.44
Rot. Bonds2

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one (PubChem CID 164524469) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one
PubChem CID164524469
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one
SMILESCc1noc(C)c1-c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C20H15NO4/c1-11-19(12(2)25-21-11)14-8-15(22)20-16(23)10-17(24-18(20)9-14)13-6-4-3-5-7-13/h3-10,22H,1-2H3
InChIKeyODPZOVMEPGSOGH-UHFFFAOYSA-N
XLogP4.44
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one (CID 164524469) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one is Cc1noc(C)c1-c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one?
The InChIKey is ODPZOVMEPGSOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-11-19(12(2)25-21-11)14-8-15(22)20-16(23)10-17(24-18(20)9-14)13-6-4-3-5-7-13/h3-10,22H,1-2H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one has a molecular weight of 333.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 164524469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).