2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile

C17H11FN2OS — CID 17012788

IUPAC2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(Sc2oc(-c3ccc(F)cc3)nc2C#N)cc1
InChIInChI=1S/C17H11FN2OS/c1-11-2-8-14(9-3-11)22-17-15(10-19)20-16(21-17)12-4-6-13(18)7-5-12/h2-9H,1H3
InChIKeyHVYYJXYDAJMADU-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.81
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile

2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile (PubChem CID 17012788) has the molecular formula C17H11FN2OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile
PubChem CID17012788
Molecular FormulaC17H11FN2OS
Molecular Weight310.35 g/mol
Exact Mass310.06
IUPAC Name2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(Sc2oc(-c3ccc(F)cc3)nc2C#N)cc1
InChIInChI=1S/C17H11FN2OS/c1-11-2-8-14(9-3-11)22-17-15(10-19)20-16(21-17)12-4-6-13(18)7-5-12/h2-9H,1H3
InChIKeyHVYYJXYDAJMADU-UHFFFAOYSA-N
XLogP4.81
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile (CID 17012788) is 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile is Cc1ccc(Sc2oc(-c3ccc(F)cc3)nc2C#N)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile?
The InChIKey is HVYYJXYDAJMADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2OS/c1-11-2-8-14(9-3-11)22-17-15(10-19)20-16(21-17)12-4-6-13(18)7-5-12/h2-9H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile?
2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile has a molecular weight of 310.35 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 17012788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).