2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole

C16H12F3N3O — CID 2739646

IUPAC2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole
SMILESCc1nc(C)c(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)o1
InChIInChI=1S/C16H12F3N3O/c1-9-14(23-10(2)21-9)13-7-8-20-15(22-13)11-3-5-12(6-4-11)16(17,18)19/h3-8H,1-2H3
InChIKeyMGXYCPAXRGAWSF-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.43
Rot. Bonds2

About 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole

2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole (PubChem CID 2739646) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole
PubChem CID2739646
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole
SMILESCc1nc(C)c(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)o1
InChIInChI=1S/C16H12F3N3O/c1-9-14(23-10(2)21-9)13-7-8-20-15(22-13)11-3-5-12(6-4-11)16(17,18)19/h3-8H,1-2H3
InChIKeyMGXYCPAXRGAWSF-UHFFFAOYSA-N
XLogP4.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole (CID 2739646) is 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole is Cc1nc(C)c(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)o1.
What is the InChIKey of 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole?
The InChIKey is MGXYCPAXRGAWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-9-14(23-10(2)21-9)13-7-8-20-15(22-13)11-3-5-12(6-4-11)16(17,18)19/h3-8H,1-2H3.
What are the key properties of 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole?
2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole has a molecular weight of 319.29 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 2739646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).