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

C14H18FN3O — CID 60837891

IUPACN-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C14H18FN3O/c1-10(2)16-8-7-14-17-13(18-19-14)9-11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3
InChIKeyKJQJKTNKRDVWLA-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.34
Rot. Bonds6

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

N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 60837891) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID60837891
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C14H18FN3O/c1-10(2)16-8-7-14-17-13(18-19-14)9-11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3
InChIKeyKJQJKTNKRDVWLA-UHFFFAOYSA-N
XLogP2.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 60837891) is N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is KJQJKTNKRDVWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(2)16-8-7-14-17-13(18-19-14)9-11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60837891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).