1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C11H12FN3O — CID 62715597

IUPAC1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(-c2ccccc2F)no1
InChIInChI=1S/C11H12FN3O/c1-7(13)6-10-14-11(15-16-10)8-4-2-3-5-9(8)12/h2-5,7H,6,13H2,1H3
InChIKeyFCRQXDPDVQGMJC-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.77
Rot. Bonds3

About 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 62715597) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID62715597
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(-c2ccccc2F)no1
InChIInChI=1S/C11H12FN3O/c1-7(13)6-10-14-11(15-16-10)8-4-2-3-5-9(8)12/h2-5,7H,6,13H2,1H3
InChIKeyFCRQXDPDVQGMJC-UHFFFAOYSA-N
XLogP1.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 62715597) is 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)Cc1nc(-c2ccccc2F)no1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is FCRQXDPDVQGMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7(13)6-10-14-11(15-16-10)8-4-2-3-5-9(8)12/h2-5,7H,6,13H2,1H3.
What are the key properties of 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 221.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 62715597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).