2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine

C10H12N4O — CID 62653143

IUPAC2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC(CN)c1noc(-c2ccncc2)n1
InChIInChI=1S/C10H12N4O/c1-7(6-11)9-13-10(15-14-9)8-2-4-12-5-3-8/h2-5,7H,6,11H2,1H3
InChIKeySJBCRPLTYORPFJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.19
Rot. Bonds3

About 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine

2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 62653143) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID62653143
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC(CN)c1noc(-c2ccncc2)n1
InChIInChI=1S/C10H12N4O/c1-7(6-11)9-13-10(15-14-9)8-2-4-12-5-3-8/h2-5,7H,6,11H2,1H3
InChIKeySJBCRPLTYORPFJ-UHFFFAOYSA-N
XLogP1.19
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652246
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79684730
2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62651517
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62651887
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 82880062
2-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55101961
2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 65199145
2-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102006
2-[5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 113296181
2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653521
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115079631
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine (CID 62653143) is 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine is CC(CN)c1noc(-c2ccncc2)n1.
What is the InChIKey of 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is SJBCRPLTYORPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(6-11)9-13-10(15-14-9)8-2-4-12-5-3-8/h2-5,7H,6,11H2,1H3.
What are the key properties of 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 204.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 62653143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).