5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole

C13H7ClF3N3O2 — CID 2726956

IUPAC5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(-c3ccc(Cl)cc3)n2)c(C(F)(F)F)o1
InChIInChI=1S/C13H7ClF3N3O2/c1-6-18-9(10(21-6)13(15,16)17)11-19-12(22-20-11)7-2-4-8(14)5-3-7/h2-5H,1H3
InChIKeyWOVACMPXOWJZER-UHFFFAOYSA-N
MW329.67 g/mol
LogP4.37
Rot. Bonds2

About 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole (PubChem CID 2726956) has the molecular formula C13H7ClF3N3O2 and a molecular weight of 329.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole
PubChem CID2726956
Molecular FormulaC13H7ClF3N3O2
Molecular Weight329.67 g/mol
Exact Mass329.02
IUPAC Name5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(-c3ccc(Cl)cc3)n2)c(C(F)(F)F)o1
InChIInChI=1S/C13H7ClF3N3O2/c1-6-18-9(10(21-6)13(15,16)17)11-19-12(22-20-11)7-2-4-8(14)5-3-7/h2-5H,1H3
InChIKeyWOVACMPXOWJZER-UHFFFAOYSA-N
XLogP4.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.67
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 99963115
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141075
4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 23931680
5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746072
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
1-[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone
CID 67362402
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole (CID 2726956) is 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole is Cc1nc(-c2noc(-c3ccc(Cl)cc3)n2)c(C(F)(F)F)o1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is WOVACMPXOWJZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3O2/c1-6-18-9(10(21-6)13(15,16)17)11-19-12(22-20-11)7-2-4-8(14)5-3-7/h2-5H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 329.67 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 2726956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).