2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol

C14H12N2O2 — CID 58946383

IUPAC2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
SMILESCc1nc2cc(-c3ccc(O)c(N)c3)ccc2o1
InChIInChI=1S/C14H12N2O2/c1-8-16-12-7-10(3-5-14(12)18-8)9-2-4-13(17)11(15)6-9/h2-7,17H,15H2,1H3
InChIKeyVUMDEZYTCTZACL-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.09
Rot. Bonds1

About 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol

2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol (PubChem CID 58946383) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
PubChem CID58946383
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
SMILESCc1nc2cc(-c3ccc(O)c(N)c3)ccc2o1
InChIInChI=1S/C14H12N2O2/c1-8-16-12-7-10(3-5-14(12)18-8)9-2-4-13(17)11(15)6-9/h2-7,17H,15H2,1H3
InChIKeyVUMDEZYTCTZACL-UHFFFAOYSA-N
XLogP3.09
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol
CID 135755462
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol
CID 12886751
2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide
CID 116892007
2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
CID 115023924
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
[2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892127
2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-thiol
CID 116889685
2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol?
The IUPAC name of 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol (CID 58946383) is 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol.
What is the SMILES notation for 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol?
The canonical SMILES for 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol is Cc1nc2cc(-c3ccc(O)c(N)c3)ccc2o1.
What is the InChIKey of 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol?
The InChIKey is VUMDEZYTCTZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-16-12-7-10(3-5-14(12)18-8)9-2-4-13(17)11(15)6-9/h2-7,17H,15H2,1H3.
What are the key properties of 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol?
2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol has a molecular weight of 240.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol is sourced from PubChem (CID 58946383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).