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

C10H17N3O2 — CID 107911749

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
SMILESCc1nc(CNCC2(C)CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-8-12-9(13-15-8)6-11-7-10(2)4-3-5-14-10/h11H,3-7H2,1-2H3
InChIKeyZLGWYFFQNDGARQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.04
Rot. Bonds4

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

1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine (PubChem CID 107911749) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
PubChem CID107911749
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
SMILESCc1nc(CNCC2(C)CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-8-12-9(13-15-8)6-11-7-10(2)4-3-5-14-10/h11H,3-7H2,1-2H3
InChIKeyZLGWYFFQNDGARQ-UHFFFAOYSA-N
XLogP1.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(Cyclobutylmethyl){[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}(tetrahydro-2-furanylmethyl)amine
CID 16190123
9-[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 71915811
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504704
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine
CID 75504705
(3S)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632794
(3S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99827495
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 164637324
2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258109
2,2,2-trifluoro-N-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 80167274
N-[[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 116741567
(Cyclobutylmethyl)[(3-propyl-1,2,4-oxadiazol-5-yl)methyl](tetrahydro-2-furanylmethyl)amine
CID 45205309

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine (CID 107911749) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine is Cc1nc(CNCC2(C)CCCO2)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The InChIKey is ZLGWYFFQNDGARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-12-9(13-15-8)6-11-7-10(2)4-3-5-14-10/h11H,3-7H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine is sourced from PubChem (CID 107911749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).