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

C17H11F5N2O2 — CID 139328646

IUPAC3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)Oc1cccc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1
InChIInChI=1S/C17H11F5N2O2/c18-16(19)25-13-3-1-2-11(9-13)8-10-4-6-12(7-5-10)14-23-15(26-24-14)17(20,21)22/h1-7,9,16H,8H2
InChIKeySWHXMVLJTUKPEH-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.95
Rot. Bonds5

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

3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 139328646) has the molecular formula C17H11F5N2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID139328646
Molecular FormulaC17H11F5N2O2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Name3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)Oc1cccc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1
InChIInChI=1S/C17H11F5N2O2/c18-16(19)25-13-3-1-2-11(9-13)8-10-4-6-12(7-5-10)14-23-15(26-24-14)17(20,21)22/h1-7,9,16H,8H2
InChIKeySWHXMVLJTUKPEH-UHFFFAOYSA-N
XLogP4.95
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 160570810
2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 123768629
3-[4-(phenylsulfanylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370356
2-[5-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazol-3-yl]acetonitrile
CID 164540112
3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide
CID 175454941
1-(3-methoxyphenyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide
CID 137366480
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanimine
CID 160536624
2-(1-fluoroethoxy)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 142438590
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl N-propan-2-ylcarbamate
CID 166559367

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 139328646) is 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)Oc1cccc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1.
What is the InChIKey of 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is SWHXMVLJTUKPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2/c18-16(19)25-13-3-1-2-11(9-13)8-10-4-6-12(7-5-10)14-23-15(26-24-14)17(20,21)22/h1-7,9,16H,8H2.
What are the key properties of 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 370.28 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139328646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).