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

C9H15N3O2 — CID 107911748

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCc1nc(CNCC2(C)COC2)no1
InChIInChI=1S/C9H15N3O2/c1-7-11-8(12-14-7)3-10-4-9(2)5-13-6-9/h10H,3-6H2,1-2H3
InChIKeyKCTXDZUVVSENJF-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.50
Rot. Bonds4

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

1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (PubChem CID 107911748) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
PubChem CID107911748
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCc1nc(CNCC2(C)COC2)no1
InChIInChI=1S/C9H15N3O2/c1-7-11-8(12-14-7)3-10-4-9(2)5-13-6-9/h10H,3-6H2,1-2H3
InChIKeyKCTXDZUVVSENJF-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol
CID 107911775
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 107911749
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 107911772
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 107911734
4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107911681
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine
CID 107911470
2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 107911870
3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107911680
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 107911452
1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234150
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 107911447
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (CID 107911748) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is Cc1nc(CNCC2(C)COC2)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The InChIKey is KCTXDZUVVSENJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-11-8(12-14-7)3-10-4-9(2)5-13-6-9/h10H,3-6H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine has a molecular weight of 197.24 g/mol, XLogP of 0.50, 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-[(3-methyloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 107911748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).