N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide

C16H18FN5O3S — CID 167842718

IUPACN-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1cn(Cc2cc(-c3ccccc3F)on2)nn1
InChIInChI=1S/C16H18FN5O3S/c1-16(2,20-26(3,23)24)15-10-22(21-18-15)9-11-8-14(25-19-11)12-6-4-5-7-13(12)17/h4-8,10,20H,9H2,1-3H3
InChIKeyQTOCRMBNKHAVOS-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide

N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide (PubChem CID 167842718) has the molecular formula C16H18FN5O3S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide
PubChem CID167842718
Molecular FormulaC16H18FN5O3S
Molecular Weight379.42 g/mol
Exact Mass379.11
IUPAC NameN-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1cn(Cc2cc(-c3ccccc3F)on2)nn1
InChIInChI=1S/C16H18FN5O3S/c1-16(2,20-26(3,23)24)15-10-22(21-18-15)9-11-8-14(25-19-11)12-6-4-5-7-13(12)17/h4-8,10,20H,9H2,1-3H3
InChIKeyQTOCRMBNKHAVOS-UHFFFAOYSA-N
XLogP1.90
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide (CID 167842718) is N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide is CC(C)(NS(C)(=O)=O)c1cn(Cc2cc(-c3ccccc3F)on2)nn1.
What is the InChIKey of N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide?
The InChIKey is QTOCRMBNKHAVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3S/c1-16(2,20-26(3,23)24)15-10-22(21-18-15)9-11-8-14(25-19-11)12-6-4-5-7-13(12)17/h4-8,10,20H,9H2,1-3H3.
What are the key properties of N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide?
N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide has a molecular weight of 379.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 167842718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).