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

C15H13N3O4 — CID 156640331

IUPACmethyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2nc3cc(N)ccc3o2)c(OC)cn1
InChIInChI=1S/C15H13N3O4/c1-20-13-7-17-11(15(19)21-2)6-9(13)14-18-10-5-8(16)3-4-12(10)22-14/h3-7H,16H2,1-2H3
InChIKeyOJISLKBZKVUSML-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.27
Rot. Bonds3

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

methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate (PubChem CID 156640331) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate
PubChem CID156640331
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Namemethyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2nc3cc(N)ccc3o2)c(OC)cn1
InChIInChI=1S/C15H13N3O4/c1-20-13-7-17-11(15(19)21-2)6-9(13)14-18-10-5-8(16)3-4-12(10)22-14/h3-7H,16H2,1-2H3
InChIKeyOJISLKBZKVUSML-UHFFFAOYSA-N
XLogP2.27
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]pyridine-2-carboxylate
CID 66287145
methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate
CID 166844850
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
ethyl 5-amino-1,3-benzoxazole-2-carboxylate
CID 118999769
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891
methyl 2-bromo-5-(5-fluoro-1,3-benzoxazol-2-yl)pyridine-4-carboxylate
CID 155296005
N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide
CID 151173328
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-3,5-dimethoxybenzoate
CID 46089137

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate (CID 156640331) is methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate is COC(=O)c1cc(-c2nc3cc(N)ccc3o2)c(OC)cn1.
What is the InChIKey of methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate?
The InChIKey is OJISLKBZKVUSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-20-13-7-17-11(15(19)21-2)6-9(13)14-18-10-5-8(16)3-4-12(10)22-14/h3-7H,16H2,1-2H3.
What are the key properties of methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate?
methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-amino-1,3-benzoxazol-2-yl)-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 156640331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).