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

C12H19N3O2 — CID 110256047

IUPAC2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1noc(C2CCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C12H19N3O2/c1-8-13-10(17-14-8)9-5-6-15(7-9)11(16)12(2,3)4/h9H,5-7H2,1-4H3
InChIKeyKPABGLYOPPHSHQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.74
Rot. Bonds1

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

2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110256047) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID110256047
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1noc(C2CCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C12H19N3O2/c1-8-13-10(17-14-8)9-5-6-15(7-9)11(16)12(2,3)4/h9H,5-7H2,1-4H3
InChIKeyKPABGLYOPPHSHQ-UHFFFAOYSA-N
XLogP1.74
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 110256047) is 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is Cc1noc(C2CCN(C(=O)C(C)(C)C)C2)n1.
What is the InChIKey of 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is KPABGLYOPPHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-13-10(17-14-8)9-5-6-15(7-9)11(16)12(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 237.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110256047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).