[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol

C11H14N2O2 — CID 115229195

IUPAC[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
SMILESCc1nc2ccc(CN(C)CO)cc2o1
InChIInChI=1S/C11H14N2O2/c1-8-12-10-4-3-9(5-11(10)15-8)6-13(2)7-14/h3-5,14H,6-7H2,1-2H3
InChIKeyHYZZJIORPNEXCR-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.52
Rot. Bonds3

About [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol

[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol (PubChem CID 115229195) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol.

Molecular Properties

Compound Name[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
PubChem CID115229195
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
SMILESCc1nc2ccc(CN(C)CO)cc2o1
InChIInChI=1S/C11H14N2O2/c1-8-12-10-4-3-9(5-11(10)15-8)6-13(2)7-14/h3-5,14H,6-7H2,1-2H3
InChIKeyHYZZJIORPNEXCR-UHFFFAOYSA-N
XLogP1.52
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.52
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

4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butan-1-ol
CID 115217706
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
N-ethyl-N'-methyl-N'-[(2-methyl-1,3-benzoxazol-6-yl)methyl]ethane-1,2-diamine
CID 115205939
4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butanenitrile
CID 115231847
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208337
N,2-dimethyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butane-1,4-diamine
CID 115202689
1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
CID 115235191
2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]acetic acid
CID 82383516
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
2-[[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methyl]butanenitrile
CID 115253947
3-N-methyl-3-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butane-1,3-diamine
CID 117040391
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198

Frequently Asked Questions

What is the IUPAC name of [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol?
The IUPAC name of [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol (CID 115229195) is [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol.
What is the SMILES notation for [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol?
The canonical SMILES for [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol is Cc1nc2ccc(CN(C)CO)cc2o1.
What is the InChIKey of [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol?
The InChIKey is HYZZJIORPNEXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-12-10-4-3-9(5-11(10)15-8)6-13(2)7-14/h3-5,14H,6-7H2,1-2H3.
What are the key properties of [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol?
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol has a molecular weight of 206.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol is sourced from PubChem (CID 115229195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).