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

C13H15F2N3O — CID 82846767

IUPAC5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(N)CCCc1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C13H15F2N3O/c1-8(16)3-2-4-12-17-13(18-19-12)9-5-6-10(14)11(15)7-9/h5-8H,2-4,16H2,1H3
InChIKeyCLYURLVGKWVYGQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.68
Rot. Bonds5

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

5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 82846767) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID82846767
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(N)CCCc1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C13H15F2N3O/c1-8(16)3-2-4-12-17-13(18-19-12)9-5-6-10(14)11(15)7-9/h5-8H,2-4,16H2,1H3
InChIKeyCLYURLVGKWVYGQ-UHFFFAOYSA-N
XLogP2.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348448
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349162
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63348620
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 43658638
5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 43658624
5-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847241
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 55202613
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072269
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82809463
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 82846767) is 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CC(N)CCCc1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is CLYURLVGKWVYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-8(16)3-2-4-12-17-13(18-19-12)9-5-6-10(14)11(15)7-9/h5-8H,2-4,16H2,1H3.
What are the key properties of 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 267.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 82846767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).