[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate

C19H16F3N3O4 — CID 146469131

IUPAC[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate
SMILESCc1nnc(CC(OC(N)=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)o1
InChIInChI=1S/C19H16F3N3O4/c1-11-24-25-17(27-11)10-16(28-18(23)26)14-4-2-3-13(9-14)12-5-7-15(8-6-12)29-19(20,21)22/h2-9,16H,10H2,1H3,(H2,23,26)
InChIKeyAKIWLNBZQAKPEE-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.32
Rot. Bonds6

About [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate

[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate (PubChem CID 146469131) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate.

Molecular Properties

Compound Name[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate
PubChem CID146469131
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Name[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate
SMILESCc1nnc(CC(OC(N)=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)o1
InChIInChI=1S/C19H16F3N3O4/c1-11-24-25-17(27-11)10-16(28-18(23)26)14-4-2-3-13(9-14)12-5-7-15(8-6-12)29-19(20,21)22/h2-9,16H,10H2,1H3,(H2,23,26)
InChIKeyAKIWLNBZQAKPEE-UHFFFAOYSA-N
XLogP4.32
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(4-chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469116
[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 162602245
[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
CID 175211548
2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 122534355
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanol
CID 146469141
1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 141128245
3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid;tert-butyl-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]-dimethylsilane;ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;ethyl 3-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate;2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 160970889
1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469152
3-[[4-[2-phenyl-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid
CID 11851645
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
3-amino-3-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 135366687

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate?
The IUPAC name of [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate (CID 146469131) is [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate.
What is the SMILES notation for [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate?
The canonical SMILES for [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate is Cc1nnc(CC(OC(N)=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)o1.
What is the InChIKey of [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate?
The InChIKey is AKIWLNBZQAKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c1-11-24-25-17(27-11)10-16(28-18(23)26)14-4-2-3-13(9-14)12-5-7-15(8-6-12)29-19(20,21)22/h2-9,16H,10H2,1H3,(H2,23,26).
What are the key properties of [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate?
[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate has a molecular weight of 407.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] carbamate is sourced from PubChem (CID 146469131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).