4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

C16H14N2O4 — CID 4970332

IUPAC4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1cc(N2COc3ccc4c(C)cc(=O)oc4c3C2)no1
InChIInChI=1S/C16H14N2O4/c1-9-5-15(19)21-16-11(9)3-4-13-12(16)7-18(8-20-13)14-6-10(2)22-17-14/h3-6H,7-8H2,1-2H3
InChIKeyZJTVQNSFOCJNJR-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.75
Rot. Bonds1

About 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 4970332) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
PubChem CID4970332
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1cc(N2COc3ccc4c(C)cc(=O)oc4c3C2)no1
InChIInChI=1S/C16H14N2O4/c1-9-5-15(19)21-16-11(9)3-4-13-12(16)7-18(8-20-13)14-6-10(2)22-17-14/h3-6H,7-8H2,1-2H3
InChIKeyZJTVQNSFOCJNJR-UHFFFAOYSA-N
XLogP2.75
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The IUPAC name of 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 4970332) is 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
What is the SMILES notation for 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The canonical SMILES for 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is Cc1cc(N2COc3ccc4c(C)cc(=O)oc4c3C2)no1.
What is the InChIKey of 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The InChIKey is ZJTVQNSFOCJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-5-15(19)21-16-11(9)3-4-13-12(16)7-18(8-20-13)14-6-10(2)22-17-14/h3-6H,7-8H2,1-2H3.
What are the key properties of 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 298.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 4970332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).