4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one

C12H15NO3 — CID 105477275

IUPAC4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one
SMILESCOc1cccc(C2(C)CCOC(=O)N2)c1
InChIInChI=1S/C12H15NO3/c1-12(6-7-16-11(14)13-12)9-4-3-5-10(8-9)15-2/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyDVWPKVIGQPGGLQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.04
Rot. Bonds2

About 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one

4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one (PubChem CID 105477275) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one
PubChem CID105477275
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one
SMILESCOc1cccc(C2(C)CCOC(=O)N2)c1
InChIInChI=1S/C12H15NO3/c1-12(6-7-16-11(14)13-12)9-4-3-5-10(8-9)15-2/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyDVWPKVIGQPGGLQ-UHFFFAOYSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one?
The IUPAC name of 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one (CID 105477275) is 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one is COc1cccc(C2(C)CCOC(=O)N2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one?
The InChIKey is DVWPKVIGQPGGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(6-7-16-11(14)13-12)9-4-3-5-10(8-9)15-2/h3-5,8H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one?
4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one has a molecular weight of 221.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105477275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).