4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid

C23H24N4O5 — CID 166108164

IUPAC4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(Nc3cccc(C(=O)NCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C23H24N4O5/c28-21(24-8-9-27-10-12-31-13-11-27)18-2-1-3-19(14-18)26-23-25-15-20(32-23)16-4-6-17(7-5-16)22(29)30/h1-7,14-15H,8-13H2,(H,24,28)(H,25,26)(H,29,30)
InChIKeyOVIVVHZEDVGSLP-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.85
Rot. Bonds8

About 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid

4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid (PubChem CID 166108164) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
PubChem CID166108164
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc(Nc3cccc(C(=O)NCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C23H24N4O5/c28-21(24-8-9-27-10-12-31-13-11-27)18-2-1-3-19(14-18)26-23-25-15-20(32-23)16-4-6-17(7-5-16)22(29)30/h1-7,14-15H,8-13H2,(H,24,28)(H,25,26)(H,29,30)
InChIKeyOVIVVHZEDVGSLP-UHFFFAOYSA-N
XLogP2.85
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[3-methoxy-5-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108228
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 50783731
4-[3-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10099946
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxamide
CID 117093186
4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide
CID 166108173
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid?
The IUPAC name of 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid (CID 166108164) is 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid?
The canonical SMILES for 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid is O=C(O)c1ccc(-c2cnc(Nc3cccc(C(=O)NCCN4CCOCC4)c3)o2)cc1.
What is the InChIKey of 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid?
The InChIKey is OVIVVHZEDVGSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c28-21(24-8-9-27-10-12-31-13-11-27)18-2-1-3-19(14-18)26-23-25-15-20(32-23)16-4-6-17(7-5-16)22(29)30/h1-7,14-15H,8-13H2,(H,24,28)(H,25,26)(H,29,30).
What are the key properties of 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid?
4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid has a molecular weight of 436.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid is sourced from PubChem (CID 166108164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).