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

C7H13N3O — CID 102993784

IUPAC2-(1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESCCCC(CN)c1ncno1
InChIInChI=1S/C7H13N3O/c1-2-3-6(4-8)7-9-5-10-11-7/h5-6H,2-4,8H2,1H3
InChIKeyPIXFNSPPXCVEQK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.91
Rot. Bonds4

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

2-(1,2,4-oxadiazol-5-yl)pentan-1-amine (PubChem CID 102993784) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)pentan-1-amine
PubChem CID102993784
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESCCCC(CN)c1ncno1
InChIInChI=1S/C7H13N3O/c1-2-3-6(4-8)7-9-5-10-11-7/h5-6H,2-4,8H2,1H3
InChIKeyPIXFNSPPXCVEQK-UHFFFAOYSA-N
XLogP0.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65223012
(1S,2S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82416346
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 102993814
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82418105
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65222968
3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 131081533
2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65221932
2-(1-methylimidazol-2-yl)pentan-1-amine
CID 116834928
2-phenylpentan-1-amine
CID 14321247
cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole
CID 162280781
5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole
CID 156522893
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine (CID 102993784) is 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine is CCCC(CN)c1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine?
The InChIKey is PIXFNSPPXCVEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-3-6(4-8)7-9-5-10-11-7/h5-6H,2-4,8H2,1H3.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine?
2-(1,2,4-oxadiazol-5-yl)pentan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 102993784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).