6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid

C23H23N3O5 — CID 24801052

IUPAC6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1
InChIInChI=1S/C23H23N3O5/c27-20(22-25-14-21(31-22)18-2-1-3-19(26-18)23(28)29)9-6-15-4-7-16(8-5-15)30-17-10-12-24-13-11-17/h1-5,7-8,14,17,24H,6,9-13H2,(H,28,29)
InChIKeyNFQIDONYKDXHLJ-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.38
Rot. Bonds8

About 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid

6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 24801052) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
PubChem CID24801052
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1
InChIInChI=1S/C23H23N3O5/c27-20(22-25-14-21(31-22)18-2-1-3-19(26-18)23(28)29)9-6-15-4-7-16(8-5-15)30-17-10-12-24-13-11-17/h1-5,7-8,14,17,24H,6,9-13H2,(H,28,29)
InChIKeyNFQIDONYKDXHLJ-UHFFFAOYSA-N
XLogP3.38
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (CID 24801052) is 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1.
What is the InChIKey of 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is NFQIDONYKDXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c27-20(22-25-14-21(31-22)18-2-1-3-19(26-18)23(28)29)9-6-15-4-7-16(8-5-15)30-17-10-12-24-13-11-17/h1-5,7-8,14,17,24H,6,9-13H2,(H,28,29).
What are the key properties of 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 421.45 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 24801052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).