3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

C22H25NO3 — CID 18795473

IUPAC3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(O)c2ccccc2C)CO1
InChIInChI=1S/C22H25NO3/c1-15-10-8-9-13-18(15)20(24)22(3,4)23-14-26-16(2)19(21(23)25)17-11-6-5-7-12-17/h5-13,20,24H,14H2,1-4H3
InChIKeyFDXDNRDJTCMDJZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.05
Rot. Bonds4

About 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 18795473) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID18795473
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(O)c2ccccc2C)CO1
InChIInChI=1S/C22H25NO3/c1-15-10-8-9-13-18(15)20(24)22(3,4)23-14-26-16(2)19(21(23)25)17-11-6-5-7-12-17/h5-13,20,24H,14H2,1-4H3
InChIKeyFDXDNRDJTCMDJZ-UHFFFAOYSA-N
XLogP4.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (CID 18795473) is 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)C(O)c2ccccc2C)CO1.
What is the InChIKey of 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is FDXDNRDJTCMDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15-10-8-9-13-18(15)20(24)22(3,4)23-14-26-16(2)19(21(23)25)17-11-6-5-7-12-17/h5-13,20,24H,14H2,1-4H3.
What are the key properties of 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 351.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-methyl-1-(2-methylphenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).