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

C11H12FN3O — CID 61267112

IUPAC2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H12FN3O/c1-11(2,13)10-14-9(15-16-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3
InChIKeyHXHTWDHJNVNKQZ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.07
Rot. Bonds2

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

2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 61267112) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID61267112
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H12FN3O/c1-11(2,13)10-14-9(15-16-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3
InChIKeyHXHTWDHJNVNKQZ-UHFFFAOYSA-N
XLogP2.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267111
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798935
1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79797977
1,1,1-trifluoro-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79799029
1-amino-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002973
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803472
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65285630
4-[5-(2-amino-1,1,1-trifluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810081
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 81491826
3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 79804455

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 61267112) is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(C)(N)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is HXHTWDHJNVNKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-11(2,13)10-14-9(15-16-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 221.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 61267112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).