2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one

C16H19NO4 — CID 4116298

IUPAC2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
SMILESCCCCOc1ccc(-c2nc(OC)c(C)c(=O)o2)cc1
InChIInChI=1S/C16H19NO4/c1-4-5-10-20-13-8-6-12(7-9-13)15-17-14(19-3)11(2)16(18)21-15/h6-9H,4-5,10H2,1-3H3
InChIKeyXWWMTQJISUJSCR-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.20
Rot. Bonds6

About 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one

2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one (PubChem CID 4116298) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
PubChem CID4116298
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
SMILESCCCCOc1ccc(-c2nc(OC)c(C)c(=O)o2)cc1
InChIInChI=1S/C16H19NO4/c1-4-5-10-20-13-8-6-12(7-9-13)15-17-14(19-3)11(2)16(18)21-15/h6-9H,4-5,10H2,1-3H3
InChIKeyXWWMTQJISUJSCR-UHFFFAOYSA-N
XLogP3.20
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233003
[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 143299914
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 5006371
ethyl 4-(bromomethyl)-2-(4-butoxyphenyl)-1,3-oxazole-5-carboxylate
CID 143299975
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
2-(4-heptoxyphenyl)-7-(4-methylphenyl)-[1,3]benzoxazolo[5,4-e][1,3]benzoxazole
CID 118531043
2-(4-hexoxyphenyl)-7-(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531033
2-(4-butoxyphenyl)-5-[[2-(4-butoxyphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 135294656

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one?
The IUPAC name of 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one (CID 4116298) is 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one.
What is the SMILES notation for 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one?
The canonical SMILES for 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one is CCCCOc1ccc(-c2nc(OC)c(C)c(=O)o2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one?
The InChIKey is XWWMTQJISUJSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-5-10-20-13-8-6-12(7-9-13)15-17-14(19-3)11(2)16(18)21-15/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one?
2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one has a molecular weight of 289.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one is sourced from PubChem (CID 4116298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).