2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole

C17H13ClF3N3O — CID 122674195

IUPAC2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole
SMILESCc1nc(Cl)cc(-c2ncc(CCc3ccc(C(F)(F)F)cc3)o2)n1
InChIInChI=1S/C17H13ClF3N3O/c1-10-23-14(8-15(18)24-10)16-22-9-13(25-16)7-4-11-2-5-12(6-3-11)17(19,20)21/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyOGEKVWCEIFPDIC-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.90
Rot. Bonds4

About 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole

2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole (PubChem CID 122674195) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole
PubChem CID122674195
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole
SMILESCc1nc(Cl)cc(-c2ncc(CCc3ccc(C(F)(F)F)cc3)o2)n1
InChIInChI=1S/C17H13ClF3N3O/c1-10-23-14(8-15(18)24-10)16-22-9-13(25-16)7-4-11-2-5-12(6-3-11)17(19,20)21/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyOGEKVWCEIFPDIC-UHFFFAOYSA-N
XLogP4.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole?
The IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole (CID 122674195) is 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole is Cc1nc(Cl)cc(-c2ncc(CCc3ccc(C(F)(F)F)cc3)o2)n1.
What is the InChIKey of 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole?
The InChIKey is OGEKVWCEIFPDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c1-10-23-14(8-15(18)24-10)16-22-9-13(25-16)7-4-11-2-5-12(6-3-11)17(19,20)21/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole?
2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole has a molecular weight of 367.76 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole is sourced from PubChem (CID 122674195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).