3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C10H7F3N2O2 — CID 10105857

IUPAC3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1noc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H7F3N2O2/c1-16-9-14-8(17-15-9)6-2-4-7(5-3-6)10(11,12)13/h2-5H,1H3
InChIKeyNZOZRCDGRNTFQX-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.76
Rot. Bonds2

About 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 10105857) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID10105857
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1noc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H7F3N2O2/c1-16-9-14-8(17-15-9)6-2-4-7(5-3-6)10(11,12)13/h2-5H,1H3
InChIKeyNZOZRCDGRNTFQX-UHFFFAOYSA-N
XLogP2.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 10352930
3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571611
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
5-(2-bromo-5-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742628
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635213
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2741597
2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 162537578
5-(4-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531671
2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141075
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 10105857) is 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is COc1noc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is NZOZRCDGRNTFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-16-9-14-8(17-15-9)6-2-4-7(5-3-6)10(11,12)13/h2-5H,1H3.
What are the key properties of 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 244.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 10105857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).