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

C15H18FN3O3 — CID 146469127

IUPAC[1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCCCc1ccc(F)c(C(Cc2nnc(C)o2)OC(N)=O)c1
InChIInChI=1S/C15H18FN3O3/c1-3-4-10-5-6-12(16)11(7-10)13(22-15(17)20)8-14-19-18-9(2)21-14/h5-7,13H,3-4,8H2,1-2H3,(H2,17,20)
InChIKeyXLMYFIIHZGJBSN-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.85
Rot. Bonds6

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

[1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (PubChem CID 146469127) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
PubChem CID146469127
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name[1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCCCc1ccc(F)c(C(Cc2nnc(C)o2)OC(N)=O)c1
InChIInChI=1S/C15H18FN3O3/c1-3-4-10-5-6-12(16)11(7-10)13(22-15(17)20)8-14-19-18-9(2)21-14/h5-7,13H,3-4,8H2,1-2H3,(H2,17,20)
InChIKeyXLMYFIIHZGJBSN-UHFFFAOYSA-N
XLogP2.85
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-Fluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469100
2-[2-Methoxy-2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 146469102
[1-[3-(3,4-Difluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469108
[1-[5-(4-Chlorophenyl)-2-fluorophenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469116
1-[2-Fluoro-5-(3,3,3-trifluoropropyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469123
1-(2-Fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469129
[2-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]ethyl] carbamate
CID 146469130
1-(2-Fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469132
[1-[2-Fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469134
[1-[3-(4-Fluorophenyl)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469139
[1-[3-[2,4-Bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469148
[1-(2-Fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
CID 146469155

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The IUPAC name of [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (CID 146469127) is [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The canonical SMILES for [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is CCCc1ccc(F)c(C(Cc2nnc(C)o2)OC(N)=O)c1.
What is the InChIKey of [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The InChIKey is XLMYFIIHZGJBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-3-4-10-5-6-12(16)11(7-10)13(22-15(17)20)8-14-19-18-9(2)21-14/h5-7,13H,3-4,8H2,1-2H3,(H2,17,20).
What are the key properties of [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
[1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate has a molecular weight of 307.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-5-propylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 146469127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).