[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol

C11H14N2O2 — CID 115229523

IUPAC[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
SMILESCN(CO)CCc1ccc2ncoc2c1
InChIInChI=1S/C11H14N2O2/c1-13(8-14)5-4-9-2-3-10-11(6-9)15-7-12-10/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyOQLYHHHTTQEWAH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.25
Rot. Bonds4

About [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol

[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol (PubChem CID 115229523) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol.

Molecular Properties

Compound Name[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
PubChem CID115229523
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
SMILESCN(CO)CCc1ccc2ncoc2c1
InChIInChI=1S/C11H14N2O2/c1-13(8-14)5-4-9-2-3-10-11(6-9)15-7-12-10/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyOQLYHHHTTQEWAH-UHFFFAOYSA-N
XLogP1.25
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-cyano-N-methylformamide
CID 115172688
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152114
3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
CID 116845001
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine
CID 115118528
3-[1,3-benzoxazol-6-ylmethyl(methyl)amino]propane-1,2-diol
CID 115122233
5-[1,3-benzoxazol-6-ylmethyl(methyl)amino]pentan-2-one
CID 115236616
1-N-(1,3-benzoxazol-6-ylmethyl)-1-N-methylbutane-1,3-diamine
CID 115199442
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
1,3-benzoxazol-6-ylmethanamine
CID 55219292
4-(1,3-benzoxazol-6-yl)-2-methylbutanoic acid
CID 116926938
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol?
The IUPAC name of [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol (CID 115229523) is [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol.
What is the SMILES notation for [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol?
The canonical SMILES for [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol is CN(CO)CCc1ccc2ncoc2c1.
What is the InChIKey of [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol?
The InChIKey is OQLYHHHTTQEWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13(8-14)5-4-9-2-3-10-11(6-9)15-7-12-10/h2-3,6-7,14H,4-5,8H2,1H3.
What are the key properties of [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol?
[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol has a molecular weight of 206.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol is sourced from PubChem (CID 115229523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).