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

C12H19N3O3 — CID 125007960

IUPAC2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCc1noc([C@@]2(C)CN(C(=O)C(C)C)CCO2)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)10(16)15-5-6-17-12(4,7-15)11-13-9(3)14-18-11/h8H,5-7H2,1-4H3/t12-/m1/s1
InChIKeyURHVAGOHKGZACU-GFCCVEGCSA-N
MW253.30 g/mol
LogP1.11
Rot. Bonds2

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

2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one (PubChem CID 125007960) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
PubChem CID125007960
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCc1noc([C@@]2(C)CN(C(=O)C(C)C)CCO2)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)10(16)15-5-6-17-12(4,7-15)11-13-9(3)14-18-11/h8H,5-7H2,1-4H3/t12-/m1/s1
InChIKeyURHVAGOHKGZACU-GFCCVEGCSA-N
XLogP1.11
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one
CID 138987399
2-bromo-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 107903459
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
CID 156545791
2-hydroxy-1-[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95841858
4-acetamido-N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]benzamide
CID 171142932
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
CID 158320938
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 146073167
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-pyridin-4-ylacetamide
CID 146073160
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
2-fluoro-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166417496
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylpyrazole-3-carboxamide
CID 171142753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one (CID 125007960) is 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one is Cc1noc([C@@]2(C)CN(C(=O)C(C)C)CCO2)n1.
What is the InChIKey of 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The InChIKey is URHVAGOHKGZACU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)10(16)15-5-6-17-12(4,7-15)11-13-9(3)14-18-11/h8H,5-7H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one has a molecular weight of 253.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 125007960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).