3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one

C15H17N3O2 — CID 115806425

IUPAC3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c19-15(9-8-13-7-4-10-20-13)14-11-16-17-18(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2
InChIKeyJMYGEFJUNJABMJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.41
Rot. Bonds5

About 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one

3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one (PubChem CID 115806425) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
PubChem CID115806425
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c19-15(9-8-13-7-4-10-20-13)14-11-16-17-18(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2
InChIKeyJMYGEFJUNJABMJ-UHFFFAOYSA-N
XLogP2.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331880
2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114686983
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970
4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105106983
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105106944
N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687122
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone
CID 114685688
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154773
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one?
The IUPAC name of 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one (CID 115806425) is 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one?
The canonical SMILES for 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one is O=C(CCC1CCCO1)c1cnnn1-c1ccccc1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one?
The InChIKey is JMYGEFJUNJABMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(9-8-13-7-4-10-20-13)14-11-16-17-18(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2.
What are the key properties of 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one?
3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one has a molecular weight of 271.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one is sourced from PubChem (CID 115806425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).