[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol

C13H22N2O2 — CID 162811147

IUPAC[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
SMILESCN(C)C1CC(Cc2cc(CO)on2)C1(C)C
InChIInChI=1S/C13H22N2O2/c1-13(2)9(6-12(13)15(3)4)5-10-7-11(8-16)17-14-10/h7,9,12,16H,5-6,8H2,1-4H3
InChIKeyDLDLWOWCOKBCLN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.69
Rot. Bonds4

About [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol

[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol (PubChem CID 162811147) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
PubChem CID162811147
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
SMILESCN(C)C1CC(Cc2cc(CO)on2)C1(C)C
InChIInChI=1S/C13H22N2O2/c1-13(2)9(6-12(13)15(3)4)5-10-7-11(8-16)17-14-10/h7,9,12,16H,5-6,8H2,1-4H3
InChIKeyDLDLWOWCOKBCLN-UHFFFAOYSA-N
XLogP1.69
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol (CID 162811147) is [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol is CN(C)C1CC(Cc2cc(CO)on2)C1(C)C.
What is the InChIKey of [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is DLDLWOWCOKBCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)9(6-12(13)15(3)4)5-10-7-11(8-16)17-14-10/h7,9,12,16H,5-6,8H2,1-4H3.
What are the key properties of [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol?
[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 162811147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).