1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C9H15N3O2 — CID 106393457

IUPAC1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCC1CCC(CNCc2ncon2)O1
InChIInChI=1S/C9H15N3O2/c1-7-2-3-8(14-7)4-10-5-9-11-6-13-12-9/h6-8,10H,2-5H2,1H3
InChIKeyWCUSTNQQUUKFHE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.73
Rot. Bonds4

About 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106393457) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106393457
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCC1CCC(CNCc2ncon2)O1
InChIInChI=1S/C9H15N3O2/c1-7-2-3-8(14-7)4-10-5-9-11-6-13-12-9/h6-8,10H,2-5H2,1H3
InChIKeyWCUSTNQQUUKFHE-UHFFFAOYSA-N
XLogP0.73
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504704
3,3-Difluoro-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]oxolan-2-one
CID 106398954
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 60719836
3-(Piperidin-3-yloxymethyl)-1,2,4-oxadiazole
CID 62328184
3-(Pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole
CID 62333235
N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65331626
3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 66246994
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyloxolan-2-yl)methanamine
CID 82835254
1,2,4-Oxadiazol-3-yl(oxolan-2-yl)methanamine
CID 82837899
(5-Methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 82838209
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 97825040
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 97825042

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106393457) is 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is CC1CCC(CNCc2ncon2)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is WCUSTNQQUUKFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-2-3-8(14-7)4-10-5-9-11-6-13-12-9/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 197.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106393457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).