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

C14H11NO3 — CID 162687769

IUPAC7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one
SMILESCc1ccc2cc(-c3nc(C)co3)c(=O)oc2c1
InChIInChI=1S/C14H11NO3/c1-8-3-4-10-6-11(13-15-9(2)7-17-13)14(16)18-12(10)5-8/h3-7H,1-2H3
InChIKeyVVUYZJZSSNZAIV-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.06
Rot. Bonds1

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

7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one (PubChem CID 162687769) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one
PubChem CID162687769
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one
SMILESCc1ccc2cc(-c3nc(C)co3)c(=O)oc2c1
InChIInChI=1S/C14H11NO3/c1-8-3-4-10-6-11(13-15-9(2)7-17-13)14(16)18-12(10)5-8/h3-7H,1-2H3
InChIKeyVVUYZJZSSNZAIV-UHFFFAOYSA-N
XLogP3.06
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.06
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-methyl-1,3-oxazol-2-yl)chromen-2-one?
The IUPAC name of 7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one (CID 162687769) is 7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one.
What is the SMILES notation for 7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one?
The canonical SMILES for 7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one is Cc1ccc2cc(-c3nc(C)co3)c(=O)oc2c1.
What is the InChIKey of 7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one?
The InChIKey is VVUYZJZSSNZAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-3-4-10-6-11(13-15-9(2)7-17-13)14(16)18-12(10)5-8/h3-7H,1-2H3.
What are the key properties of 7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one?
7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one has a molecular weight of 241.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one is sourced from PubChem (CID 162687769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).