3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine

C13H17N3O — CID 79804455

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-3-13(14,4-2)12-15-11(16-17-12)10-8-6-5-7-9-10/h5-9H,3-4,14H2,1-2H3
InChIKeyWMOUSIXDPFCSBP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.71
Rot. Bonds4

About 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine

3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine (PubChem CID 79804455) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
PubChem CID79804455
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-3-13(14,4-2)12-15-11(16-17-12)10-8-6-5-7-9-10/h5-9H,3-4,14H2,1-2H3
InChIKeyWMOUSIXDPFCSBP-UHFFFAOYSA-N
XLogP2.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79797977
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803472
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 154838471
3-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 114329402
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 62488715
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326508
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430523
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 114877100
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine (CID 79804455) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine is CCC(N)(CC)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The InChIKey is WMOUSIXDPFCSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-13(14,4-2)12-15-11(16-17-12)10-8-6-5-7-9-10/h5-9H,3-4,14H2,1-2H3.
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine is sourced from PubChem (CID 79804455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).