4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole

C19H19N3O2 — CID 167762154

IUPAC4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole
SMILESc1ccc(COc2ccc(-n3cc(C4CCOC4)nn3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-4-15(5-3-1)13-24-18-8-6-17(7-9-18)22-12-19(20-21-22)16-10-11-23-14-16/h1-9,12,16H,10-11,13-14H2
InChIKeyZQNVNKXXIFRGBZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.35
Rot. Bonds5

About 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole

4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole (PubChem CID 167762154) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole.

Molecular Properties

Compound Name4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole
PubChem CID167762154
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole
SMILESc1ccc(COc2ccc(-n3cc(C4CCOC4)nn3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-4-15(5-3-1)13-24-18-8-6-17(7-9-18)22-12-19(20-21-22)16-10-11-23-14-16/h1-9,12,16H,10-11,13-14H2
InChIKeyZQNVNKXXIFRGBZ-UHFFFAOYSA-N
XLogP3.35
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole?
The IUPAC name of 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole (CID 167762154) is 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole.
What is the SMILES notation for 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole?
The canonical SMILES for 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole is c1ccc(COc2ccc(-n3cc(C4CCOC4)nn3)cc2)cc1.
What is the InChIKey of 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole?
The InChIKey is ZQNVNKXXIFRGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-4-15(5-3-1)13-24-18-8-6-17(7-9-18)22-12-19(20-21-22)16-10-11-23-14-16/h1-9,12,16H,10-11,13-14H2.
What are the key properties of 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole?
4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole has a molecular weight of 321.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole is sourced from PubChem (CID 167762154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).