4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

C19H15FN4OS — CID 16589280

IUPAC4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CSc1nncn1-c1ccccc1F
InChIInChI=1S/C19H15FN4OS/c1-13-16(22-18(25-13)14-7-3-2-4-8-14)11-26-19-23-21-12-24(19)17-10-6-5-9-15(17)20/h2-10,12H,11H2,1H3
InChIKeyLBBBOMKZMMAEJR-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.66
Rot. Bonds5

About 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 16589280) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID16589280
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CSc1nncn1-c1ccccc1F
InChIInChI=1S/C19H15FN4OS/c1-13-16(22-18(25-13)14-7-3-2-4-8-14)11-26-19-23-21-12-24(19)17-10-6-5-9-15(17)20/h2-10,12H,11H2,1H3
InChIKeyLBBBOMKZMMAEJR-UHFFFAOYSA-N
XLogP4.66
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole (CID 16589280) is 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CSc1nncn1-c1ccccc1F.
What is the InChIKey of 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is LBBBOMKZMMAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-13-16(22-18(25-13)14-7-3-2-4-8-14)11-26-19-23-21-12-24(19)17-10-6-5-9-15(17)20/h2-10,12H,11H2,1H3.
What are the key properties of 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 366.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 16589280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).