4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole

C16H12F3NOS — CID 18701469

IUPAC4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(C(F)(F)F)oc2-c2cc(C)cs2)cc1
InChIInChI=1S/C16H12F3NOS/c1-9-3-5-11(6-4-9)13-14(12-7-10(2)8-22-12)21-15(20-13)16(17,18)19/h3-8H,1-2H3
InChIKeySNDKIELMBVBMND-UHFFFAOYSA-N
MW323.34 g/mol
LogP5.71
Rot. Bonds2

About 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole

4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 18701469) has the molecular formula C16H12F3NOS and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole
PubChem CID18701469
Molecular FormulaC16H12F3NOS
Molecular Weight323.34 g/mol
Exact Mass323.06
IUPAC Name4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(C(F)(F)F)oc2-c2cc(C)cs2)cc1
InChIInChI=1S/C16H12F3NOS/c1-9-3-5-11(6-4-9)13-14(12-7-10(2)8-22-12)21-15(20-13)16(17,18)19/h3-8H,1-2H3
InChIKeySNDKIELMBVBMND-UHFFFAOYSA-N
XLogP5.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.34
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole (CID 18701469) is 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole is Cc1ccc(-c2nc(C(F)(F)F)oc2-c2cc(C)cs2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is SNDKIELMBVBMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NOS/c1-9-3-5-11(6-4-9)13-14(12-7-10(2)8-22-12)21-15(20-13)16(17,18)19/h3-8H,1-2H3.
What are the key properties of 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole?
4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 323.34 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 18701469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).