2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile

C15H9F3N4O2 — CID 164540112

IUPAC2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile
SMILESN#CCc1cc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)on1
InChIInChI=1S/C15H9F3N4O2/c16-15(17,18)14-20-13(22-24-14)10-3-1-9(2-4-10)7-12-8-11(5-6-19)21-23-12/h1-4,8H,5,7H2
InChIKeyRRUSLYSXTITJRB-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.40
Rot. Bonds4

About 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile

2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile (PubChem CID 164540112) has the molecular formula C15H9F3N4O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile
PubChem CID164540112
Molecular FormulaC15H9F3N4O2
Molecular Weight334.26 g/mol
Exact Mass334.07
IUPAC Name2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile
SMILESN#CCc1cc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)on1
InChIInChI=1S/C15H9F3N4O2/c16-15(17,18)14-20-13(22-24-14)10-3-1-9(2-4-10)7-12-8-11(5-6-19)21-23-12/h1-4,8H,5,7H2
InChIKeyRRUSLYSXTITJRB-UHFFFAOYSA-N
XLogP3.40
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile with MolForge

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Related Compounds

N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139328646
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanimine
CID 160536624
2-[methylsulfanyl-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]methylidene]propanedinitrile
CID 162374547
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2,4-triazol-3-amine
CID 162746240
3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide
CID 175454941
3-[4-[(1-methoxypiperidin-4-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139328910
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256
3-[4-(phenylsulfanylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370356
1-(cyanomethyl)-3-ethyl-1-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521173
4-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-2-one
CID 137358408

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile?
The IUPAC name of 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile (CID 164540112) is 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile?
The canonical SMILES for 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile is N#CCc1cc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)on1.
What is the InChIKey of 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile?
The InChIKey is RRUSLYSXTITJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O2/c16-15(17,18)14-20-13(22-24-14)10-3-1-9(2-4-10)7-12-8-11(5-6-19)21-23-12/h1-4,8H,5,7H2.
What are the key properties of 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile?
2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile has a molecular weight of 334.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile is sourced from PubChem (CID 164540112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).