6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one

C15H20N2O2 — CID 59802680

IUPAC6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one
SMILESC=C1Oc2ncc(C(C)(C)C)cc2C(=O)N1C(C)C
InChIInChI=1S/C15H20N2O2/c1-9(2)17-10(3)19-13-12(14(17)18)7-11(8-16-13)15(4,5)6/h7-9H,3H2,1-2,4-6H3
InChIKeyVCCDMZZFVBOSNU-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.09
Rot. Bonds1

About 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one

6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one (PubChem CID 59802680) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one
PubChem CID59802680
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one
SMILESC=C1Oc2ncc(C(C)(C)C)cc2C(=O)N1C(C)C
InChIInChI=1S/C15H20N2O2/c1-9(2)17-10(3)19-13-12(14(17)18)7-11(8-16-13)15(4,5)6/h7-9H,3H2,1-2,4-6H3
InChIKeyVCCDMZZFVBOSNU-UHFFFAOYSA-N
XLogP3.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one
CID 59802741
5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 144909699
7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one
CID 90209182
1-tert-butyl-4-methylidene-3-propan-2-yl-1,3,5-triazin-2-one
CID 59802858
8,12-di(propan-2-yl)-5-(trifluoromethyl)-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167173828
5-[[4-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)methyl]phenyl]propan-2-yl]phenyl]methyl]-2-propan-2-ylisoindole-1,3-dione
CID 90193913
3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine
CID 165091624
5-tert-butyl-2-methyl-3-propan-2-ylpyridine
CID 58861335
1-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263917
7-methyl-22-propan-2-yl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 130206684
4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine
CID 163449444
9-methyl-13-propan-2-yl-5-(trifluoromethyl)-1,3,9,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-8-one
CID 167173762

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one?
The IUPAC name of 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one (CID 59802680) is 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one.
What is the SMILES notation for 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one?
The canonical SMILES for 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one is C=C1Oc2ncc(C(C)(C)C)cc2C(=O)N1C(C)C.
What is the InChIKey of 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one?
The InChIKey is VCCDMZZFVBOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)17-10(3)19-13-12(14(17)18)7-11(8-16-13)15(4,5)6/h7-9H,3H2,1-2,4-6H3.
What are the key properties of 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one?
6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one has a molecular weight of 260.34 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one is sourced from PubChem (CID 59802680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).