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

C9H10N2O2 — CID 116939676

IUPACamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
SMILESCc1nc2cc(C(N)O)ccc2o1
InChIInChI=1S/C9H10N2O2/c1-5-11-7-4-6(9(10)12)2-3-8(7)13-5/h2-4,9,12H,10H2,1H3
InChIKeySSUQBNNEYWUYBI-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.09
Rot. Bonds1

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

amino-(2-methyl-1,3-benzoxazol-5-yl)methanol (PubChem CID 116939676) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is amino-(2-methyl-1,3-benzoxazol-5-yl)methanol.

Molecular Properties

Compound Nameamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
PubChem CID116939676
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Nameamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
SMILESCc1nc2cc(C(N)O)ccc2o1
InChIInChI=1S/C9H10N2O2/c1-5-11-7-4-6(9(10)12)2-3-8(7)13-5/h2-4,9,12H,10H2,1H3
InChIKeySSUQBNNEYWUYBI-UHFFFAOYSA-N
XLogP1.09
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.09
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

2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
CID 116836117
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
2,3-dihydroxy-3-(2-methyl-1,3-benzoxazol-5-yl)propanenitrile
CID 171870464
1-(2-methyl-1,3-benzoxazol-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820110
3,4-dihydroxy-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 171877909
4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
CID 116941871
3,4-diamino-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 116942843
2-amino-3-(methylamino)-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116957401
2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934071

Frequently Asked Questions

What is the IUPAC name of amino-(2-methyl-1,3-benzoxazol-5-yl)methanol?
The IUPAC name of amino-(2-methyl-1,3-benzoxazol-5-yl)methanol (CID 116939676) is amino-(2-methyl-1,3-benzoxazol-5-yl)methanol.
What is the SMILES notation for amino-(2-methyl-1,3-benzoxazol-5-yl)methanol?
The canonical SMILES for amino-(2-methyl-1,3-benzoxazol-5-yl)methanol is Cc1nc2cc(C(N)O)ccc2o1.
What is the InChIKey of amino-(2-methyl-1,3-benzoxazol-5-yl)methanol?
The InChIKey is SSUQBNNEYWUYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-11-7-4-6(9(10)12)2-3-8(7)13-5/h2-4,9,12H,10H2,1H3.
What are the key properties of amino-(2-methyl-1,3-benzoxazol-5-yl)methanol?
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol has a molecular weight of 178.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-methyl-1,3-benzoxazol-5-yl)methanol is sourced from PubChem (CID 116939676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).