6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one

C16H18N2O3 — CID 11694890

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one
SMILESCc1cc(-c2c(C)noc2C)cc2c1NC(=O)OC2(C)C
InChIInChI=1S/C16H18N2O3/c1-8-6-11(13-9(2)18-21-10(13)3)7-12-14(8)17-15(19)20-16(12,4)5/h6-7H,1-5H3,(H,17,19)
InChIKeyBUQNJKIJHJLQLT-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.06
Rot. Bonds1

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one (PubChem CID 11694890) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one
PubChem CID11694890
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one
SMILESCc1cc(-c2c(C)noc2C)cc2c1NC(=O)OC2(C)C
InChIInChI=1S/C16H18N2O3/c1-8-6-11(13-9(2)18-21-10(13)3)7-12-14(8)17-15(19)20-16(12,4)5/h6-7H,1-5H3,(H,17,19)
InChIKeyBUQNJKIJHJLQLT-UHFFFAOYSA-N
XLogP4.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one (CID 11694890) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one is Cc1cc(-c2c(C)noc2C)cc2c1NC(=O)OC2(C)C.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one?
The InChIKey is BUQNJKIJHJLQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-8-6-11(13-9(2)18-21-10(13)3)7-12-14(8)17-15(19)20-16(12,4)5/h6-7H,1-5H3,(H,17,19).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one has a molecular weight of 286.33 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one is sourced from PubChem (CID 11694890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).