2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone

C16H19N3O4 — CID 97331565

IUPAC2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCOC[C@@H]2c2ncon2)c1
InChIInChI=1S/C16H19N3O4/c1-11-3-4-12(2)14(7-11)22-9-15(20)19-5-6-21-8-13(19)16-17-10-23-18-16/h3-4,7,10,13H,5-6,8-9H2,1-2H3/t13-/m1/s1
InChIKeyUUEQUKCJAPMLGG-CYBMUJFWSA-N
MW317.35 g/mol
LogP1.67
Rot. Bonds4

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

2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 97331565) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
PubChem CID97331565
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCOC[C@@H]2c2ncon2)c1
InChIInChI=1S/C16H19N3O4/c1-11-3-4-12(2)14(7-11)22-9-15(20)19-5-6-21-8-13(19)16-17-10-23-18-16/h3-4,7,10,13H,5-6,8-9H2,1-2H3/t13-/m1/s1
InChIKeyUUEQUKCJAPMLGG-CYBMUJFWSA-N
XLogP1.67
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97252445
3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470555
2-naphthalen-2-yloxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331604
2-(cyclopropylmethoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127772425
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365
3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97331620
3-indol-1-yl-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470511
1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 136521396
(6-methoxy-3-pyridinyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 127772368
(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470568
2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331689
2-(2-methoxy-5-methylphenyl)-1-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136534988

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (CID 97331565) is 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is Cc1ccc(C)c(OCC(=O)N2CCOC[C@@H]2c2ncon2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is UUEQUKCJAPMLGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-3-4-12(2)14(7-11)22-9-15(20)19-5-6-21-8-13(19)16-17-10-23-18-16/h3-4,7,10,13H,5-6,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 317.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97331565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).