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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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).