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

C14H25N3O3 — CID 114952710

IUPAC4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1nc(C(C)(C)C)no1)CC1(O)CCOCC1
InChIInChI=1S/C14H25N3O3/c1-13(2,3)12-15-11(20-16-12)9-17(4)10-14(18)5-7-19-8-6-14/h18H,5-10H2,1-4H3
InChIKeyFVKAEMLROCJFPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.34
Rot. Bonds4

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

4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114952710) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID114952710
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1nc(C(C)(C)C)no1)CC1(O)CCOCC1
InChIInChI=1S/C14H25N3O3/c1-13(2,3)12-15-11(20-16-12)9-17(4)10-14(18)5-7-19-8-6-14/h18H,5-10H2,1-4H3
InChIKeyFVKAEMLROCJFPE-UHFFFAOYSA-N
XLogP1.34
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952785
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
4-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol
CID 114952758
4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol
CID 114948813
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 111461808
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoic acid
CID 55007298
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol (CID 114952710) is 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol is CN(Cc1nc(C(C)(C)C)no1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is FVKAEMLROCJFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-13(2,3)12-15-11(20-16-12)9-17(4)10-14(18)5-7-19-8-6-14/h18H,5-10H2,1-4H3.
What are the key properties of 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 283.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).