4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one

C16H19N3O2 — CID 105106983

IUPAC4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c20-16(10-4-8-14-9-5-11-21-14)15-12-17-19(18-15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeyLYWDLIHSRMHRHU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.80
Rot. Bonds6

About 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one

4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one (PubChem CID 105106983) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one
PubChem CID105106983
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c20-16(10-4-8-14-9-5-11-21-14)15-12-17-19(18-15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeyLYWDLIHSRMHRHU-UHFFFAOYSA-N
XLogP2.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105106944
1-(1-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 107976971
4-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 103124735
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
CID 65167261
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
CID 115806425
2-(oxan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103992948
1-(2-phenyltriazol-4-yl)pent-4-yn-1-one
CID 105100786
3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331880
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
CID 116570924
1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106691075
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one?
The IUPAC name of 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one (CID 105106983) is 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one is O=C(CCCC1CCCO1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one?
The InChIKey is LYWDLIHSRMHRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(10-4-8-14-9-5-11-21-14)15-12-17-19(18-15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2.
What are the key properties of 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one?
4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one has a molecular weight of 285.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one is sourced from PubChem (CID 105106983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).