ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate

C17H16N2O5 — CID 166475760

IUPACethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
SMILESCCOC(=O)c1cc2nc(Nc3ccccc3OC)oc2cc1O
InChIInChI=1S/C17H16N2O5/c1-3-23-16(21)10-8-12-15(9-13(10)20)24-17(19-12)18-11-6-4-5-7-14(11)22-2/h4-9,20H,3H2,1-2H3,(H,18,19)
InChIKeyWQXJMXQOQQQEPJ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.46
Rot. Bonds5

About ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate

ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate (PubChem CID 166475760) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
PubChem CID166475760
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Nameethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
SMILESCCOC(=O)c1cc2nc(Nc3ccccc3OC)oc2cc1O
InChIInChI=1S/C17H16N2O5/c1-3-23-16(21)10-8-12-15(9-13(10)20)24-17(19-12)18-11-6-4-5-7-14(11)22-2/h4-9,20H,3H2,1-2H3,(H,18,19)
InChIKeyWQXJMXQOQQQEPJ-UHFFFAOYSA-N
XLogP3.46
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475762
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate
CID 166475757
ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
CID 139225277
ethyl 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
ethyl 2-(2-methoxyanilino)-4-(3-methoxyanilino)pyrimidine-5-carboxylate
CID 171546729
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
CID 108773587
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881451

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate?
The IUPAC name of ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate (CID 166475760) is ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate is CCOC(=O)c1cc2nc(Nc3ccccc3OC)oc2cc1O.
What is the InChIKey of ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate?
The InChIKey is WQXJMXQOQQQEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-3-23-16(21)10-8-12-15(9-13(10)20)24-17(19-12)18-11-6-4-5-7-14(11)22-2/h4-9,20H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate?
ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 166475760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).