3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

C18H14FN5OS — CID 4821248

IUPAC3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1cccc(F)c1
InChIInChI=1S/C18H14FN5OS/c19-14-8-4-7-13(9-14)17-22-23-18(24(17)20)26-11-16-21-10-15(25-16)12-5-2-1-3-6-12/h1-10H,11,20H2
InChIKeyOAZLAGDHNHDZPT-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.75
Rot. Bonds5

About 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 4821248) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID4821248
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC Name3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1cccc(F)c1
InChIInChI=1S/C18H14FN5OS/c19-14-8-4-7-13(9-14)17-22-23-18(24(17)20)26-11-16-21-10-15(25-16)12-5-2-1-3-6-12/h1-10H,11,20H2
InChIKeyOAZLAGDHNHDZPT-UHFFFAOYSA-N
XLogP3.75
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 4821248) is 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine is Nn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is OAZLAGDHNHDZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS/c19-14-8-4-7-13(9-14)17-22-23-18(24(17)20)26-11-16-21-10-15(25-16)12-5-2-1-3-6-12/h1-10H,11,20H2.
What are the key properties of 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 367.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 4821248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).