3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one

C16H22N4O3 — CID 128981355

IUPAC3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)n1cc(C2(O)CCN(C(=O)CCc3ccoc3)C2)nn1
InChIInChI=1S/C16H22N4O3/c1-12(2)20-9-14(17-18-20)16(22)6-7-19(11-16)15(21)4-3-13-5-8-23-10-13/h5,8-10,12,22H,3-4,6-7,11H2,1-2H3
InChIKeyKTZTYIGMLOQMMW-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.50
Rot. Bonds5

About 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one

3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 128981355) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID128981355
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)n1cc(C2(O)CCN(C(=O)CCc3ccoc3)C2)nn1
InChIInChI=1S/C16H22N4O3/c1-12(2)20-9-14(17-18-20)16(22)6-7-19(11-16)15(21)4-3-13-5-8-23-10-13/h5,8-10,12,22H,3-4,6-7,11H2,1-2H3
InChIKeyKTZTYIGMLOQMMW-UHFFFAOYSA-N
XLogP1.50
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 129484596
(2-chlorofuran-3-yl)-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 128981287
4-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 129484088
(2,5-dimethylfuran-3-yl)-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 129482977
1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 129482480
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 128982533
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128980568
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 129483607
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 129484284
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 128981280
1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128978796
1-ethylsulfonyl-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128975140

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one (CID 128981355) is 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one is CC(C)n1cc(C2(O)CCN(C(=O)CCc3ccoc3)C2)nn1.
What is the InChIKey of 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is KTZTYIGMLOQMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12(2)20-9-14(17-18-20)16(22)6-7-19(11-16)15(21)4-3-13-5-8-23-10-13/h5,8-10,12,22H,3-4,6-7,11H2,1-2H3.
What are the key properties of 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one?
3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 318.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 128981355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).