N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C15H16FN5O3 — CID 167889956

IUPACN-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC1CC(Nc2ccc(F)c(NC(=O)Cn3cncn3)c2)C(=O)O1
InChIInChI=1S/C15H16FN5O3/c1-9-4-13(15(23)24-9)19-10-2-3-11(16)12(5-10)20-14(22)6-21-8-17-7-18-21/h2-3,5,7-9,13,19H,4,6H2,1H3,(H,20,22)
InChIKeyFXRTZPOSTQMIIW-UHFFFAOYSA-N
MW333.32 g/mol
LogP1.17
Rot. Bonds5

About N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 167889956) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID167889956
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC NameN-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC1CC(Nc2ccc(F)c(NC(=O)Cn3cncn3)c2)C(=O)O1
InChIInChI=1S/C15H16FN5O3/c1-9-4-13(15(23)24-9)19-10-2-3-11(16)12(5-10)20-14(22)6-21-8-17-7-18-21/h2-3,5,7-9,13,19H,4,6H2,1H3,(H,20,22)
InChIKeyFXRTZPOSTQMIIW-UHFFFAOYSA-N
XLogP1.17
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-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

N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 146122005
N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531126
N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide
CID 95789092
(3S,5R)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroanilino]-5-methyloxolan-2-one
CID 129424006
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61129965
N-[2-fluoro-5-[[(3S)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 94595764
N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 113234244
1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 25455462
N-(5-fluoro-2-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61130568
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
CID 61405729
3-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]butanoic acid
CID 104501823

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 167889956) is N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide is CC1CC(Nc2ccc(F)c(NC(=O)Cn3cncn3)c2)C(=O)O1.
What is the InChIKey of N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FXRTZPOSTQMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c1-9-4-13(15(23)24-9)19-10-2-3-11(16)12(5-10)20-14(22)6-21-8-17-7-18-21/h2-3,5,7-9,13,19H,4,6H2,1H3,(H,20,22).
What are the key properties of N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 333.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 167889956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).