2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C16H19FN4O3 — CID 110210647

IUPAC2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(COc2ccc(F)cc2)nn1)NCC1CCCO1
InChIInChI=1S/C16H19FN4O3/c17-12-3-5-14(6-4-12)24-11-13-9-21(20-19-13)10-16(22)18-8-15-2-1-7-23-15/h3-6,9,15H,1-2,7-8,10-11H2,(H,18,22)
InChIKeyDMVXIGUYRNGVGU-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.29
Rot. Bonds7

About 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 110210647) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID110210647
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(COc2ccc(F)cc2)nn1)NCC1CCCO1
InChIInChI=1S/C16H19FN4O3/c17-12-3-5-14(6-4-12)24-11-13-9-21(20-19-13)10-16(22)18-8-15-2-1-7-23-15/h3-6,9,15H,1-2,7-8,10-11H2,(H,18,22)
InChIKeyDMVXIGUYRNGVGU-UHFFFAOYSA-N
XLogP1.29
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide 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

2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 62401850
methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520366
4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
CID 56935415
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171133252
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 100830214
2-[(4-fluorophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 36701839
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97465054
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
1-(4-fluorophenyl)-2-[4-(oxan-4-yloxymethyl)triazol-1-yl]ethanone
CID 166282854
2-(4-fluorophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 110731293

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 110210647) is 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCC1CCCO1.
What is the InChIKey of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is DMVXIGUYRNGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-12-3-5-14(6-4-12)24-11-13-9-21(20-19-13)10-16(22)18-8-15-2-1-7-23-15/h3-6,9,15H,1-2,7-8,10-11H2,(H,18,22).
What are the key properties of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 110210647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).