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

C17H16N2O4 — CID 166475762

IUPACethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
SMILESCCOC(=O)c1ccc2oc(Nc3ccccc3OC)nc2c1
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)11-8-9-15-13(10-11)19-17(23-15)18-12-6-4-5-7-14(12)21-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyQTVNMVMPQQORJH-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.76
Rot. Bonds5

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

ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate (PubChem CID 166475762) 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-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
PubChem CID166475762
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Nameethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate
SMILESCCOC(=O)c1ccc2oc(Nc3ccccc3OC)nc2c1
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)11-8-9-15-13(10-11)19-17(23-15)18-12-6-4-5-7-14(12)21-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyQTVNMVMPQQORJH-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-6-carboxylate
CID 166475757
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-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
CID 108773587
ethyl 2-bromo-1,3-benzoxazole-5-carboxylate
CID 131612632
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083762
methyl 2-(1-ethoxy-1-oxopropan-2-yl)-1,3-benzoxazole-5-carboxylate
CID 129243235
ethyl 4-[[2-(2-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177937
methyl 2-(tert-butylamino)-1,3-benzoxazole-5-carboxylate
CID 71657876
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate (CID 166475762) is ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate is CCOC(=O)c1ccc2oc(Nc3ccccc3OC)nc2c1.
What is the InChIKey of ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-carboxylate?
The InChIKey is QTVNMVMPQQORJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-3-22-16(20)11-8-9-15-13(10-11)19-17(23-15)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-5-carboxylate?
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-5-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-5-carboxylate is sourced from PubChem (CID 166475762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).