methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol

C10H12N2O2 — CID 116954712

IUPACmethylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
SMILESCNC(O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C10H12N2O2/c1-6-12-8-5-7(10(13)11-2)3-4-9(8)14-6/h3-5,10-11,13H,1-2H3
InChIKeyAVTIBZHHBOTOHY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.35
Rot. Bonds2

About methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol

methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol (PubChem CID 116954712) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol.

Molecular Properties

Compound Namemethylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
PubChem CID116954712
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
SMILESCNC(O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C10H12N2O2/c1-6-12-8-5-7(10(13)11-2)3-4-9(8)14-6/h3-5,10-11,13H,1-2H3
InChIKeyAVTIBZHHBOTOHY-UHFFFAOYSA-N
XLogP1.35
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
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

amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
N,N',N'-trimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)methanediamine
CID 116909296
2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
CID 116954230
2-amino-3-(methylamino)-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116957401
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
1-(2-methyl-1,3-benzoxazol-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820110
2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
CID 116836117
2,3-dihydroxy-3-(2-methyl-1,3-benzoxazol-5-yl)propanenitrile
CID 171870464
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116959513
1-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116958064

Frequently Asked Questions

What is the IUPAC name of methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol?
The IUPAC name of methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol (CID 116954712) is methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol.
What is the SMILES notation for methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol?
The canonical SMILES for methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol is CNC(O)c1ccc2oc(C)nc2c1.
What is the InChIKey of methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol?
The InChIKey is AVTIBZHHBOTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-12-8-5-7(10(13)11-2)3-4-9(8)14-6/h3-5,10-11,13H,1-2H3.
What are the key properties of methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol?
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol has a molecular weight of 192.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol is sourced from PubChem (CID 116954712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).