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

C17H21N3O4 — CID 75470555

IUPAC3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
SMILESCc1cc(C)cc(OCCC(=O)N2CCOCC2c2ncon2)c1
InChIInChI=1S/C17H21N3O4/c1-12-7-13(2)9-14(8-12)23-5-3-16(21)20-4-6-22-10-15(20)17-18-11-24-19-17/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyQTDGZLDYRLTAAF-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.06
Rot. Bonds5

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

3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one (PubChem CID 75470555) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
PubChem CID75470555
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
SMILESCc1cc(C)cc(OCCC(=O)N2CCOCC2c2ncon2)c1
InChIInChI=1S/C17H21N3O4/c1-12-7-13(2)9-14(8-12)23-5-3-16(21)20-4-6-22-10-15(20)17-18-11-24-19-17/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyQTDGZLDYRLTAAF-UHFFFAOYSA-N
XLogP2.06
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331565
2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97252445
2-(cyclopropylmethoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127772425
2-naphthalen-2-yloxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331604
3-indol-1-yl-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470511
3-(3,5-dimethylphenoxy)-1-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]propan-1-one
CID 129447177
3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97331620
1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 136521396
2-methyl-4-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844639
(6-methoxy-3-pyridinyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 127772368
2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331689
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one (CID 75470555) is 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one is Cc1cc(C)cc(OCCC(=O)N2CCOCC2c2ncon2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The InChIKey is QTDGZLDYRLTAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-7-13(2)9-14(8-12)23-5-3-16(21)20-4-6-22-10-15(20)17-18-11-24-19-17/h7-9,11,15H,3-6,10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one has a molecular weight of 331.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 75470555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).