3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one

C18H23N3O3 — CID 75474925

IUPAC3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
SMILESCC(C)c1nc(C2COCCN2C(=O)CCc2ccccc2)no1
InChIInChI=1S/C18H23N3O3/c1-13(2)18-19-17(20-24-18)15-12-23-11-10-21(15)16(22)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyXNWGHTWMTKAOFS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.73
Rot. Bonds5

About 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one

3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one (PubChem CID 75474925) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
PubChem CID75474925
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
SMILESCC(C)c1nc(C2COCCN2C(=O)CCc2ccccc2)no1
InChIInChI=1S/C18H23N3O3/c1-13(2)18-19-17(20-24-18)15-12-23-11-10-21(15)16(22)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyXNWGHTWMTKAOFS-UHFFFAOYSA-N
XLogP2.73
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97345225
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
N-(3-ethylphenyl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75473994
N,N-diethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75484023
(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75474922
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
3-(4-methylphenyl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97345089
2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 75474958
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 136511978
2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779588
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one (CID 75474925) is 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one is CC(C)c1nc(C2COCCN2C(=O)CCc2ccccc2)no1.
What is the InChIKey of 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The InChIKey is XNWGHTWMTKAOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(2)18-19-17(20-24-18)15-12-23-11-10-21(15)16(22)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 75474925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).