6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

C18H18N2O4 — CID 4971287

IUPAC6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCc1cc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)no1
InChIInChI=1S/C18H18N2O4/c1-9-5-15(19-24-9)20-7-13-6-14-10(2)11(3)18(21)23-17(14)12(4)16(13)22-8-20/h5-6H,7-8H2,1-4H3
InChIKeyHLFTZQVLWXWDOX-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.37
Rot. Bonds1

About 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (PubChem CID 4971287) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
PubChem CID4971287
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCc1cc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)no1
InChIInChI=1S/C18H18N2O4/c1-9-5-15(19-24-9)20-7-13-6-14-10(2)11(3)18(21)23-17(14)12(4)16(13)22-8-20/h5-6H,7-8H2,1-4H3
InChIKeyHLFTZQVLWXWDOX-UHFFFAOYSA-N
XLogP3.37
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3,4-dimethyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 4902392
N-[4-(6,7,10-trimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-yl)phenyl]acetamide
CID 4972776
4-methyl-9-(5-methyl-1,2-oxazol-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 4970332
6,7,10-trimethyl-3-(pyridin-3-ylmethyl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4972479
7-benzyl-3-(5-chloro-2-methylphenyl)-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 3713285
6-ethyl-10-methyl-3-(1,3-thiazol-2-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4893084
2-methyl-6-[3-(trifluoromethyl)phenyl]-4,17-dioxa-6-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15)-tetraen-16-one
CID 3722023
3-(3,5-dimethylphenyl)-10-methyl-6-propyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 2040721
6-(3-chloro-4-methoxyphenyl)-2-methyl-4,17-dioxa-6-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15)-tetraen-16-one
CID 3697102
6-butyl-3-(2-fluorophenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 3785507
6-chloro-9-(3-fluoro-4-methylphenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3698219
7-methyl-10-(2-phenylpropyl)-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-5-one
CID 3565157

Frequently Asked Questions

What is the IUPAC name of 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The IUPAC name of 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (CID 4971287) is 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.
What is the SMILES notation for 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The canonical SMILES for 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is Cc1cc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)no1.
What is the InChIKey of 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The InChIKey is HLFTZQVLWXWDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-9-5-15(19-24-9)20-7-13-6-14-10(2)11(3)18(21)23-17(14)12(4)16(13)22-8-20/h5-6H,7-8H2,1-4H3.
What are the key properties of 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one has a molecular weight of 326.35 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10-trimethyl-3-(5-methyl-1,2-oxazol-3-yl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is sourced from PubChem (CID 4971287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).