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

C14H9F3N4O3 — CID 137399890

IUPAC[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate
SMILESO=C(OCc1cccc(-c2noc(C(F)(F)F)n2)c1)n1ccnc1
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)12-19-11(20-24-12)10-3-1-2-9(6-10)7-23-13(22)21-5-4-18-8-21/h1-6,8H,7H2
InChIKeyXIQVYZNQONLOLW-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.14
Rot. Bonds3

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

[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate (PubChem CID 137399890) has the molecular formula C14H9F3N4O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate.

Molecular Properties

Compound Name[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate
PubChem CID137399890
Molecular FormulaC14H9F3N4O3
Molecular Weight338.25 g/mol
Exact Mass338.06
IUPAC Name[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate
SMILESO=C(OCc1cccc(-c2noc(C(F)(F)F)n2)c1)n1ccnc1
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)12-19-11(20-24-12)10-3-1-2-9(6-10)7-23-13(22)21-5-4-18-8-21/h1-6,8H,7H2
InChIKeyXIQVYZNQONLOLW-UHFFFAOYSA-N
XLogP3.14
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(trifluoromethyl)phenyl]methyl imidazole-1-carboxylate
CID 68882567
2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 123768629
ethyl 1-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylate
CID 164540086
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
(4-methoxyphenyl)methyl imidazole-1-carboxylate
CID 58630007
2-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]acetic acid
CID 67881091
3-(3-benzylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175179860
1-methoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 135326270
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 160570810
1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423086
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl N-propan-2-ylcarbamate
CID 166559367
7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532689

Frequently Asked Questions

What is the IUPAC name of [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate?
The IUPAC name of [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate (CID 137399890) is [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate.
What is the SMILES notation for [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate?
The canonical SMILES for [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate is O=C(OCc1cccc(-c2noc(C(F)(F)F)n2)c1)n1ccnc1.
What is the InChIKey of [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate?
The InChIKey is XIQVYZNQONLOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3/c15-14(16,17)12-19-11(20-24-12)10-3-1-2-9(6-10)7-23-13(22)21-5-4-18-8-21/h1-6,8H,7H2.
What are the key properties of [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate?
[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate has a molecular weight of 338.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate is sourced from PubChem (CID 137399890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).