4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol

C10H17N3O3 — CID 107911775

IUPAC4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol
SMILESCc1nc(CNCC2(O)CCOCC2)no1
InChIInChI=1S/C10H17N3O3/c1-8-12-9(13-16-8)6-11-7-10(14)2-4-15-5-3-10/h11,14H,2-7H2,1H3
InChIKeyIWNNPASHWDQMSV-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.01
Rot. Bonds4

About 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol

4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol (PubChem CID 107911775) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol
PubChem CID107911775
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol
SMILESCc1nc(CNCC2(O)CCOCC2)no1
InChIInChI=1S/C10H17N3O3/c1-8-12-9(13-16-8)6-11-7-10(14)2-4-15-5-3-10/h11,14H,2-7H2,1H3
InChIKeyIWNNPASHWDQMSV-UHFFFAOYSA-N
XLogP0.01
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107911681
3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107911680
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 107911748
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
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 78928754
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 107911447
4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
CID 78929055
4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81130976
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81131226

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol (CID 107911775) is 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol is Cc1nc(CNCC2(O)CCOCC2)no1.
What is the InChIKey of 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is IWNNPASHWDQMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8-12-9(13-16-8)6-11-7-10(14)2-4-15-5-3-10/h11,14H,2-7H2,1H3.
What are the key properties of 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol?
4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 227.26 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 107911775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).