7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one

C13H9NO4 — CID 6001790

IUPAC7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one
SMILESCc1cc2c(=O)c(-c3ccon3)coc2cc1O
InChIInChI=1S/C13H9NO4/c1-7-4-8-12(5-11(7)15)17-6-9(13(8)16)10-2-3-18-14-10/h2-6,15H,1H3
InChIKeyHRSQEBSHGZQJBV-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.46
Rot. Bonds1

About 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one

7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one (PubChem CID 6001790) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one
PubChem CID6001790
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one
SMILESCc1cc2c(=O)c(-c3ccon3)coc2cc1O
InChIInChI=1S/C13H9NO4/c1-7-4-8-12(5-11(7)15)17-6-9(13(8)16)10-2-3-18-14-10/h2-6,15H,1H3
InChIKeyHRSQEBSHGZQJBV-UHFFFAOYSA-N
XLogP2.46
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one (CID 6001790) is 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one is Cc1cc2c(=O)c(-c3ccon3)coc2cc1O.
What is the InChIKey of 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one?
The InChIKey is HRSQEBSHGZQJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c1-7-4-8-12(5-11(7)15)17-6-9(13(8)16)10-2-3-18-14-10/h2-6,15H,1H3.
What are the key properties of 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one?
7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one has a molecular weight of 243.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-3-(1,2-oxazol-3-yl)chromen-4-one is sourced from PubChem (CID 6001790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).