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

C14H18FN3O — CID 55039129

IUPACN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H18FN3O/c1-3-8-16-10(2)14-18-17-13(19-14)9-11-4-6-12(15)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyWCNSDQDXVIKRQY-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.86
Rot. Bonds6

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

N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 55039129) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID55039129
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H18FN3O/c1-3-8-16-10(2)14-18-17-13(19-14)9-11-4-6-12(15)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyWCNSDQDXVIKRQY-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 55039129) is N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is WCNSDQDXVIKRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-8-16-10(2)14-18-17-13(19-14)9-11-4-6-12(15)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 55039129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).