3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one

C18H22N2O3 — CID 71707666

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H22N2O3/c1-13-16(14(2)23-19-13)8-9-18(21)20-10-11-22-17(12-20)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3
InChIKeyDTHUSASCQWEUCE-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.82
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one (PubChem CID 71707666) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
PubChem CID71707666
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H22N2O3/c1-13-16(14(2)23-19-13)8-9-18(21)20-10-11-22-17(12-20)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3
InChIKeyDTHUSASCQWEUCE-UHFFFAOYSA-N
XLogP2.82
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-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

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 95141971
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 95281367
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 134040069
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209406
1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 110113401
4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166532
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
1-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 134700820

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one (CID 71707666) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is DTHUSASCQWEUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-16(14(2)23-19-13)8-9-18(21)20-10-11-22-17(12-20)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 314.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 71707666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).