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

C12H21N3O3 — CID 114952785

IUPAC4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
SMILESCCc1nnc(CN(C)CC2(O)CCOCC2)o1
InChIInChI=1S/C12H21N3O3/c1-3-10-13-14-11(18-10)8-15(2)9-12(16)4-6-17-7-5-12/h16H,3-9H2,1-2H3
InChIKeyPZNUVYLBPWRDME-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.61
Rot. Bonds5

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

4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114952785) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID114952785
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
SMILESCCc1nnc(CN(C)CC2(O)CCOCC2)o1
InChIInChI=1S/C12H21N3O3/c1-3-10-13-14-11(18-10)8-15(2)9-12(16)4-6-17-7-5-12/h16H,3-9H2,1-2H3
InChIKeyPZNUVYLBPWRDME-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952710
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol
CID 114952758
4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol
CID 114953269
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol
CID 114953247
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
4-[[[2-(bromomethyl)-2-propylpentyl]-methylamino]methyl]oxan-4-ol
CID 114952430
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
CID 114953250

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol (CID 114952785) is 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol is CCc1nnc(CN(C)CC2(O)CCOCC2)o1.
What is the InChIKey of 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is PZNUVYLBPWRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-10-13-14-11(18-10)8-15(2)9-12(16)4-6-17-7-5-12/h16H,3-9H2,1-2H3.
What are the key properties of 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 255.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).