[6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

C12H14N4O3 — CID 114286577

IUPAC[6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc(C3COCCO3)no2)nc1
InChIInChI=1S/C12H14N4O3/c13-5-8-1-2-9(14-6-8)12-15-11(16-19-12)10-7-17-3-4-18-10/h1-2,6,10H,3-5,7,13H2
InChIKeyDIWMGBIQQKOXTM-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.68
Rot. Bonds3

About [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine

[6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 114286577) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
PubChem CID114286577
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name[6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc(C3COCCO3)no2)nc1
InChIInChI=1S/C12H14N4O3/c13-5-8-1-2-9(14-6-8)12-15-11(16-19-12)10-7-17-3-4-18-10/h1-2,6,10H,3-5,7,13H2
InChIKeyDIWMGBIQQKOXTM-UHFFFAOYSA-N
XLogP0.68
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373476
[6-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 115385219
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 114287316
3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 65353797
5-bromo-2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65353742
4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65353841
[6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81098491
[6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 116701297
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 114286517
[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81090077
[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81091063
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 65353326

Frequently Asked Questions

What is the IUPAC name of [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine (CID 114286577) is [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is NCc1ccc(-c2nc(C3COCCO3)no2)nc1.
What is the InChIKey of [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is DIWMGBIQQKOXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-5-8-1-2-9(14-6-8)12-15-11(16-19-12)10-7-17-3-4-18-10/h1-2,6,10H,3-5,7,13H2.
What are the key properties of [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine?
[6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 262.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 114286577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).