[4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol

C12H21N3O3 — CID 91841621

IUPAC[4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol
SMILESCc1nc(CN(C)CC2(CO)CCOCC2)no1
InChIInChI=1S/C12H21N3O3/c1-10-13-11(14-18-10)7-15(2)8-12(9-16)3-5-17-6-4-12/h16H,3-9H2,1-2H3
InChIKeyKEDLIZATORRLOD-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.60
Rot. Bonds5

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

[4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol (PubChem CID 91841621) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol
PubChem CID91841621
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name[4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol
SMILESCc1nc(CN(C)CC2(CO)CCOCC2)no1
InChIInChI=1S/C12H21N3O3/c1-10-13-11(14-18-10)7-15(2)8-12(9-16)3-5-17-6-4-12/h16H,3-9H2,1-2H3
InChIKeyKEDLIZATORRLOD-UHFFFAOYSA-N
XLogP0.60
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol (CID 91841621) is [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol is Cc1nc(CN(C)CC2(CO)CCOCC2)no1.
What is the InChIKey of [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The InChIKey is KEDLIZATORRLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-10-13-11(14-18-10)7-15(2)8-12(9-16)3-5-17-6-4-12/h16H,3-9H2,1-2H3.
What are the key properties of [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol?
[4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 91841621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).