N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine

C13H16FN3O — CID 72893335

IUPACN-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC(C)c2ccc(F)cc2)o1
InChIInChI=1S/C13H16FN3O/c1-3-4-12-16-17-13(18-12)15-9(2)10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3,(H,15,17)
InChIKeyAWJRDFSKFUNUGS-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.33
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 72893335) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID72893335
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC(C)c2ccc(F)cc2)o1
InChIInChI=1S/C13H16FN3O/c1-3-4-12-16-17-13(18-12)15-9(2)10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3,(H,15,17)
InChIKeyAWJRDFSKFUNUGS-UHFFFAOYSA-N
XLogP3.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 72893335) is N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC(C)c2ccc(F)cc2)o1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is AWJRDFSKFUNUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-4-12-16-17-13(18-12)15-9(2)10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 249.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72893335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).