(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C12H16N4O — CID 104881133

IUPAC(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCc1cccnc1-c1noc([C@@H](N)CC)n1
InChIInChI=1S/C12H16N4O/c1-3-8-6-5-7-14-10(8)11-15-12(17-16-11)9(13)4-2/h5-7,9H,3-4,13H2,1-2H3/t9-/m0/s1
InChIKeyLXVIXCPKOYXYRK-VIFPVBQESA-N
MW232.29 g/mol
LogP2.10
Rot. Bonds4

About (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104881133) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104881133
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCc1cccnc1-c1noc([C@@H](N)CC)n1
InChIInChI=1S/C12H16N4O/c1-3-8-6-5-7-14-10(8)11-15-12(17-16-11)9(13)4-2/h5-7,9H,3-4,13H2,1-2H3/t9-/m0/s1
InChIKeyLXVIXCPKOYXYRK-VIFPVBQESA-N
XLogP2.10
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 82736724
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
5-[chloro(phenyl)methyl]-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82731808
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103442618
3-(3-ethyl-2-pyridinyl)-5-(1-fluoro-2-phenylethyl)-1,2,4-oxadiazole
CID 139003897
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 82736496
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 82740955
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 82736599
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 82730434

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104881133) is (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCc1cccnc1-c1noc([C@@H](N)CC)n1.
What is the InChIKey of (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is LXVIXCPKOYXYRK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-8-6-5-7-14-10(8)11-15-12(17-16-11)9(13)4-2/h5-7,9H,3-4,13H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104881133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).