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

C13H16N4O2 — CID 114324977

IUPAC[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESCC1(c2noc(-c3ccnc(CN)c3)n2)CCCO1
InChIInChI=1S/C13H16N4O2/c1-13(4-2-6-18-13)12-16-11(19-17-12)9-3-5-15-10(7-9)8-14/h3,5,7H,2,4,6,8,14H2,1H3
InChIKeyZIISCJKMOQLKOT-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.62
Rot. Bonds3

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

[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (PubChem CID 114324977) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
PubChem CID114324977
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESCC1(c2noc(-c3ccnc(CN)c3)n2)CCCO1
InChIInChI=1S/C13H16N4O2/c1-13(4-2-6-18-13)12-16-11(19-17-12)9-3-5-15-10(7-9)8-14/h3,5,7H,2,4,6,8,14H2,1H3
InChIKeyZIISCJKMOQLKOT-UHFFFAOYSA-N
XLogP1.62
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741445
2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 80691509
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 103999555
5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
CID 114324963
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743065
2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712766
4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411911
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209258
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 80683512
[4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741181
(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898719

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (CID 114324977) is [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is CC1(c2noc(-c3ccnc(CN)c3)n2)CCCO1.
What is the InChIKey of [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The InChIKey is ZIISCJKMOQLKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(4-2-6-18-13)12-16-11(19-17-12)9-3-5-15-10(7-9)8-14/h3,5,7H,2,4,6,8,14H2,1H3.
What are the key properties of [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine has a molecular weight of 260.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 114324977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).