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

C17H22FN3O3 — CID 146469155

IUPAC[1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCCCCCc1ccc(F)c(C(Cc2nnc(C)o2)OC(N)=O)c1
InChIInChI=1S/C17H22FN3O3/c1-3-4-5-6-12-7-8-14(18)13(9-12)15(24-17(19)22)10-16-21-20-11(2)23-16/h7-9,15H,3-6,10H2,1-2H3,(H2,19,22)
InChIKeyYQRNIGRMNXQZMD-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.63
Rot. Bonds8

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

[1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (PubChem CID 146469155) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
PubChem CID146469155
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name[1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
SMILESCCCCCc1ccc(F)c(C(Cc2nnc(C)o2)OC(N)=O)c1
InChIInChI=1S/C17H22FN3O3/c1-3-4-5-6-12-7-8-14(18)13(9-12)15(24-17(19)22)10-16-21-20-11(2)23-16/h7-9,15H,3-6,10H2,1-2H3,(H2,19,22)
InChIKeyYQRNIGRMNXQZMD-UHFFFAOYSA-N
XLogP3.63
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The IUPAC name of [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (CID 146469155) is [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.
What is the SMILES notation for [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The canonical SMILES for [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is CCCCCc1ccc(F)c(C(Cc2nnc(C)o2)OC(N)=O)c1.
What is the InChIKey of [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
The InChIKey is YQRNIGRMNXQZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-3-4-5-6-12-7-8-14(18)13(9-12)15(24-17(19)22)10-16-21-20-11(2)23-16/h7-9,15H,3-6,10H2,1-2H3,(H2,19,22).
What are the key properties of [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?
[1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate has a molecular weight of 335.38 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-5-pentylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 146469155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).