2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone

C23H24N2O4 — CID 110354510

IUPAC2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
SMILESCOc1cccc(-c2nc(CC(=O)N3CCOC(c4ccccc4)C3)c(C)o2)c1
InChIInChI=1S/C23H24N2O4/c1-16-20(24-23(29-16)18-9-6-10-19(13-18)27-2)14-22(26)25-11-12-28-21(15-25)17-7-4-3-5-8-17/h3-10,13,21H,11-12,14-15H2,1-2H3
InChIKeyVZVMZZCYUDHOBH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.80
Rot. Bonds5

About 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone

2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone (PubChem CID 110354510) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
PubChem CID110354510
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
SMILESCOc1cccc(-c2nc(CC(=O)N3CCOC(c4ccccc4)C3)c(C)o2)c1
InChIInChI=1S/C23H24N2O4/c1-16-20(24-23(29-16)18-9-6-10-19(13-18)27-2)14-22(26)25-11-12-28-21(15-25)17-7-4-3-5-8-17/h3-10,13,21H,11-12,14-15H2,1-2H3
InChIKeyVZVMZZCYUDHOBH-UHFFFAOYSA-N
XLogP3.80
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629799
1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355653
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 31913134
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110355852
1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136547163
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 110631395
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3795731
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 99629535
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134803

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone (CID 110354510) is 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone is COc1cccc(-c2nc(CC(=O)N3CCOC(c4ccccc4)C3)c(C)o2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone?
The InChIKey is VZVMZZCYUDHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-20(24-23(29-16)18-9-6-10-19(13-18)27-2)14-22(26)25-11-12-28-21(15-25)17-7-4-3-5-8-17/h3-10,13,21H,11-12,14-15H2,1-2H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone?
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone has a molecular weight of 392.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 110354510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).