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

C15H23N3O3 — CID 110876417

IUPAC2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C15H23N3O3/c1-10(2)15(19)18-6-3-12(9-18)14-16-13(17-21-14)11-4-7-20-8-5-11/h10-12H,3-9H2,1-2H3
InChIKeyVERNOXPCQNZJPT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.94
Rot. Bonds3

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

2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110876417) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110876417
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C15H23N3O3/c1-10(2)15(19)18-6-3-12(9-18)14-16-13(17-21-14)11-4-7-20-8-5-11/h10-12H,3-9H2,1-2H3
InChIKeyVERNOXPCQNZJPT-UHFFFAOYSA-N
XLogP1.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755
1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91908063
[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91908029
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
3-methyl-1-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 91918866
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 128988663
1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butane-1,4-dione
CID 91908183
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
(2-fluorophenyl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91918804
[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91918799
1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one
CID 164635213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one (CID 110876417) is 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(c2nc(C3CCOCC3)no2)C1.
What is the InChIKey of 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VERNOXPCQNZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)15(19)18-6-3-12(9-18)14-16-13(17-21-14)11-4-7-20-8-5-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).