N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide

C14H15FN4O2 — CID 167765984

IUPACN-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C2(F)COC2)nn1)NCc1ccccc1
InChIInChI=1S/C14H15FN4O2/c15-14(9-21-10-14)12-7-19(18-17-12)8-13(20)16-6-11-4-2-1-3-5-11/h1-5,7H,6,8-10H2,(H,16,20)
InChIKeyCVBZUIQNTLSHRO-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.79
Rot. Bonds5

About N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide

N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide (PubChem CID 167765984) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide
PubChem CID167765984
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C2(F)COC2)nn1)NCc1ccccc1
InChIInChI=1S/C14H15FN4O2/c15-14(9-21-10-14)12-7-19(18-17-12)8-13(20)16-6-11-4-2-1-3-5-11/h1-5,7H,6,8-10H2,(H,16,20)
InChIKeyCVBZUIQNTLSHRO-UHFFFAOYSA-N
XLogP0.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]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-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289938
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 112522186
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290374
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 63999342
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide (CID 167765984) is N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide is O=C(Cn1cc(C2(F)COC2)nn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide?
The InChIKey is CVBZUIQNTLSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-14(9-21-10-14)12-7-19(18-17-12)8-13(20)16-6-11-4-2-1-3-5-11/h1-5,7H,6,8-10H2,(H,16,20).
What are the key properties of N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide?
N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide has a molecular weight of 290.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-fluorooxetan-3-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 167765984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).