4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid

C19H19N3O5 — CID 15980709

IUPAC4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid
SMILESCCOc1nc(N(Cc2cnco2)c2ccc(C(=O)O)cc2)ccc1OC
InChIInChI=1S/C19H19N3O5/c1-3-26-18-16(25-2)8-9-17(21-18)22(11-15-10-20-12-27-15)14-6-4-13(5-7-14)19(23)24/h4-10,12H,3,11H2,1-2H3,(H,23,24)
InChIKeyJGJDLFLIGNFPAC-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.51
Rot. Bonds8

About 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid

4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid (PubChem CID 15980709) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid
PubChem CID15980709
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid
SMILESCCOc1nc(N(Cc2cnco2)c2ccc(C(=O)O)cc2)ccc1OC
InChIInChI=1S/C19H19N3O5/c1-3-26-18-16(25-2)8-9-17(21-18)22(11-15-10-20-12-27-15)14-6-4-13(5-7-14)19(23)24/h4-10,12H,3,11H2,1-2H3,(H,23,24)
InChIKeyJGJDLFLIGNFPAC-UHFFFAOYSA-N
XLogP3.51
TPSA97.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid?
The IUPAC name of 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid (CID 15980709) is 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid.
What is the SMILES notation for 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid?
The canonical SMILES for 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid is CCOc1nc(N(Cc2cnco2)c2ccc(C(=O)O)cc2)ccc1OC.
What is the InChIKey of 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid?
The InChIKey is JGJDLFLIGNFPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-26-18-16(25-2)8-9-17(21-18)22(11-15-10-20-12-27-15)14-6-4-13(5-7-14)19(23)24/h4-10,12H,3,11H2,1-2H3,(H,23,24).
What are the key properties of 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid?
4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid has a molecular weight of 369.38 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-5-methoxy-2-pyridinyl)-(1,3-oxazol-5-ylmethyl)amino]benzoic acid is sourced from PubChem (CID 15980709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).