4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol

C15H14N2O3 — CID 28675939

IUPAC4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
SMILESCc1nc2cc(NCc3ccc(O)cc3O)ccc2o1
InChIInChI=1S/C15H14N2O3/c1-9-17-13-6-11(3-5-15(13)20-9)16-8-10-2-4-12(18)7-14(10)19/h2-7,16,18-19H,8H2,1H3
InChIKeyLZNHTSMVENEOII-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.16
Rot. Bonds3

About 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol

4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol (PubChem CID 28675939) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
PubChem CID28675939
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
SMILESCc1nc2cc(NCc3ccc(O)cc3O)ccc2o1
InChIInChI=1S/C15H14N2O3/c1-9-17-13-6-11(3-5-15(13)20-9)16-8-10-2-4-12(18)7-14(10)19/h2-7,16,18-19H,8H2,1H3
InChIKeyLZNHTSMVENEOII-UHFFFAOYSA-N
XLogP3.16
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
CID 60931175
2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol
CID 115951019
6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
CID 79775669
N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43093225
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-methyl-N-[(2-nitrophenyl)methyl]-1,3-benzoxazol-5-amine
CID 28676165
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658
2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine
CID 63311832
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
4-[(4-fluoro-3-methylanilino)methyl]benzene-1,3-diol
CID 55119119
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol (CID 28675939) is 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol is Cc1nc2cc(NCc3ccc(O)cc3O)ccc2o1.
What is the InChIKey of 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol?
The InChIKey is LZNHTSMVENEOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-17-13-6-11(3-5-15(13)20-9)16-8-10-2-4-12(18)7-14(10)19/h2-7,16,18-19H,8H2,1H3.
What are the key properties of 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol?
4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol has a molecular weight of 270.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 28675939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).