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

C17H16N2O4 — CID 166475757

IUPACethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(Nc3ccccc3OC)oc2c1
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)11-8-9-13-15(10-11)23-17(19-13)18-12-6-4-5-7-14(12)21-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyIBLBRBKEWAEVJD-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.76
Rot. Bonds5

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

ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate (PubChem CID 166475757) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate
PubChem CID166475757
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Nameethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(Nc3ccccc3OC)oc2c1
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)11-8-9-13-15(10-11)23-17(19-13)18-12-6-4-5-7-14(12)21-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyIBLBRBKEWAEVJD-UHFFFAOYSA-N
XLogP3.76
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475762
ethyl 6-hydroxy-2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
CID 166475760
ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
CID 139225277
ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083762
ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
CID 108773587
ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083767
ethyl 4-[[2-(2-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177937
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
1-[2-(2-aminoanilino)-1,3-benzoxazol-6-yl]propan-2-one
CID 89385713
3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]propanoic acid
CID 18008952
ethyl 4-[[4-[(2-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317585
ethyl 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate (CID 166475757) is ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate is CCOC(=O)c1ccc2nc(Nc3ccccc3OC)oc2c1.
What is the InChIKey of ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate?
The InChIKey is IBLBRBKEWAEVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-3-22-16(20)11-8-9-13-15(10-11)23-17(19-13)18-12-6-4-5-7-14(12)21-2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate?
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate is sourced from PubChem (CID 166475757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).