N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine

C16H14FN3O — CID 71694579

IUPACN-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C16H14FN3O/c1-2-11-7-9-12(10-8-11)18-16-19-15(20-21-16)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyOVTHXPPRYCHXFT-UHFFFAOYSA-N
MW283.31 g/mol
LogP4.18
Rot. Bonds4

About N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine

N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 71694579) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID71694579
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C16H14FN3O/c1-2-11-7-9-12(10-8-11)18-16-19-15(20-21-16)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyOVTHXPPRYCHXFT-UHFFFAOYSA-N
XLogP4.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (CID 71694579) is N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is CCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is OVTHXPPRYCHXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-2-11-7-9-12(10-8-11)18-16-19-15(20-21-16)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71694579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).