2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide

C17H15FN4O3 — CID 121117106

IUPAC2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O3/c18-11-3-5-12(6-4-11)19-15(23)10-21-17(24)22(13-7-8-13)16(20-21)14-2-1-9-25-14/h1-6,9,13H,7-8,10H2,(H,19,23)
InChIKeyYRXSQZOBSCLRMG-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 121117106) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID121117106
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O3/c18-11-3-5-12(6-4-11)19-15(23)10-21-17(24)22(13-7-8-13)16(20-21)14-2-1-9-25-14/h1-6,9,13H,7-8,10H2,(H,19,23)
InChIKeyYRXSQZOBSCLRMG-UHFFFAOYSA-N
XLogP2.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide
CID 121117042
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 121117049
tert-butyl 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]acetate
CID 121117093
1-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 121116320
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide
CID 121116161
2-benzyl-4-cyclopropyl-5-(furan-2-yl)-1,2,4-triazol-3-one
CID 121117153
2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
CID 90542211
2-(4-chlorophenyl)-N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121116241
1-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(4-fluorophenyl)urea
CID 121078071
2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-phenylacetamide
CID 90542209
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide
CID 121116164

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide (CID 121117106) is 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide is O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is YRXSQZOBSCLRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c18-11-3-5-12(6-4-11)19-15(23)10-21-17(24)22(13-7-8-13)16(20-21)14-2-1-9-25-14/h1-6,9,13H,7-8,10H2,(H,19,23).
What are the key properties of 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 342.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 121117106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).