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

C12H14FN3O — CID 62594660

IUPAC3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C12H14FN3O/c1-2-6-14-12-15-11(16-17-12)8-9-4-3-5-10(13)7-9/h3-5,7H,2,6,8H2,1H3,(H,14,15,16)
InChIKeyXPGUPCWPSMHZAS-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.62
Rot. Bonds5

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

3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 62594660) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID62594660
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C12H14FN3O/c1-2-6-14-12-15-11(16-17-12)8-9-4-3-5-10(13)7-9/h3-5,7H,2,6,8H2,1H3,(H,14,15,16)
InChIKeyXPGUPCWPSMHZAS-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine (CID 62594660) is 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is XPGUPCWPSMHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-6-14-12-15-11(16-17-12)8-9-4-3-5-10(13)7-9/h3-5,7H,2,6,8H2,1H3,(H,14,15,16).
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine?
3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 235.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).