2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C14H18FN3O — CID 55067854

IUPAC2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C14H18FN3O/c1-4-7-14(3,16)13-17-12(18-19-13)11-8-10(15)6-5-9(11)2/h5-6,8H,4,7,16H2,1-3H3
InChIKeySAMFIDNJLPVDBI-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.16
Rot. Bonds4

About 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 55067854) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID55067854
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C14H18FN3O/c1-4-7-14(3,16)13-17-12(18-19-13)11-8-10(15)6-5-9(11)2/h5-6,8H,4,7,16H2,1-3H3
InChIKeySAMFIDNJLPVDBI-UHFFFAOYSA-N
XLogP3.16
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 55067854) is 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(C)(N)c1nc(-c2cc(F)ccc2C)no1.
What is the InChIKey of 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is SAMFIDNJLPVDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-7-14(3,16)13-17-12(18-19-13)11-8-10(15)6-5-9(11)2/h5-6,8H,4,7,16H2,1-3H3.
What are the key properties of 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 55067854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).