4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid

C20H14ClN3O4 — CID 141187575

IUPAC4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc3nc(NCc4ccc(Cl)cc4)oc3c2)ccn1
InChIInChI=1S/C20H14ClN3O4/c21-13-3-1-12(2-4-13)11-23-20-24-16-6-5-14(10-18(16)28-20)27-15-7-8-22-17(9-15)19(25)26/h1-10H,11H2,(H,23,24)(H,25,26)
InChIKeyFNDZMUQPLFYOMC-UHFFFAOYSA-N
MW395.80 g/mol
LogP4.98
Rot. Bonds6

About 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid

4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid (PubChem CID 141187575) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
PubChem CID141187575
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC Name4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc3nc(NCc4ccc(Cl)cc4)oc3c2)ccn1
InChIInChI=1S/C20H14ClN3O4/c21-13-3-1-12(2-4-13)11-23-20-24-16-6-5-14(10-18(16)28-20)27-15-7-8-22-17(9-15)19(25)26/h1-10H,11H2,(H,23,24)(H,25,26)
InChIKeyFNDZMUQPLFYOMC-UHFFFAOYSA-N
XLogP4.98
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid (CID 141187575) is 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid is O=C(O)c1cc(Oc2ccc3nc(NCc4ccc(Cl)cc4)oc3c2)ccn1.
What is the InChIKey of 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid?
The InChIKey is FNDZMUQPLFYOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c21-13-3-1-12(2-4-13)11-23-20-24-16-6-5-14(10-18(16)28-20)27-15-7-8-22-17(9-15)19(25)26/h1-10H,11H2,(H,23,24)(H,25,26).
What are the key properties of 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid?
4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid has a molecular weight of 395.80 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 141187575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).