7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one

C15H13NO4 — CID 675503

IUPAC7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one
SMILESCc1noc(C)c1COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H13NO4/c1-9-13(10(2)20-16-9)8-18-12-5-3-11-4-6-15(17)19-14(11)7-12/h3-7H,8H2,1-2H3
InChIKeyMSXDLPJTYVZYDB-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.98
Rot. Bonds3

About 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one

7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one (PubChem CID 675503) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one
PubChem CID675503
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one
SMILESCc1noc(C)c1COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H13NO4/c1-9-13(10(2)20-16-9)8-18-12-5-3-11-4-6-15(17)19-14(11)7-12/h3-7H,8H2,1-2H3
InChIKeyMSXDLPJTYVZYDB-UHFFFAOYSA-N
XLogP2.98
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one?
The IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one (CID 675503) is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one.
What is the SMILES notation for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one?
The canonical SMILES for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one is Cc1noc(C)c1COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one?
The InChIKey is MSXDLPJTYVZYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-13(10(2)20-16-9)8-18-12-5-3-11-4-6-15(17)19-14(11)7-12/h3-7H,8H2,1-2H3.
What are the key properties of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one?
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]chromen-2-one has a molecular weight of 271.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 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)methoxy]chromen-2-one is sourced from PubChem (CID 675503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).