4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole

C13H9ClF3N5O — CID 176842797

IUPAC4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)co1
InChIInChI=1S/C13H9ClF3N5O/c1-7-20-9(6-23-7)12-21-10(13(15,16)17)4-22(12)5-11-18-2-8(14)3-19-11/h2-4,6H,5H2,1H3
InChIKeyWATUDDUQDLDDIS-UHFFFAOYSA-N
MW343.70 g/mol
LogP3.36
Rot. Bonds3

About 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole

4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole (PubChem CID 176842797) has the molecular formula C13H9ClF3N5O and a molecular weight of 343.70 g/mol. Its IUPAC name is 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole
PubChem CID176842797
Molecular FormulaC13H9ClF3N5O
Molecular Weight343.70 g/mol
Exact Mass343.04
IUPAC Name4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)co1
InChIInChI=1S/C13H9ClF3N5O/c1-7-20-9(6-23-7)12-21-10(13(15,16)17)4-22(12)5-11-18-2-8(14)3-19-11/h2-4,6H,5H2,1H3
InChIKeyWATUDDUQDLDDIS-UHFFFAOYSA-N
XLogP3.36
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole (CID 176842797) is 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole is Cc1nc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)co1.
What is the InChIKey of 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole?
The InChIKey is WATUDDUQDLDDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N5O/c1-7-20-9(6-23-7)12-21-10(13(15,16)17)4-22(12)5-11-18-2-8(14)3-19-11/h2-4,6H,5H2,1H3.
What are the key properties of 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole?
4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole has a molecular weight of 343.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 176842797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).