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

C30H29N3O4 — CID 24801220

IUPAC6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)o2)n1
InChIInChI=1S/C30H29N3O4/c34-27(29-31-19-28(37-29)25-5-4-6-26(32-25)30(35)36)16-11-21-7-12-23(13-8-21)24-14-9-22(10-15-24)20-33-17-2-1-3-18-33/h4-10,12-15,19H,1-3,11,16-18,20H2,(H,35,36)
InChIKeyALRPTAKEUYRQIL-UHFFFAOYSA-N
MW495.58 g/mol
LogP5.90
Rot. Bonds9

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

6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 24801220) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
PubChem CID24801220
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)o2)n1
InChIInChI=1S/C30H29N3O4/c34-27(29-31-19-28(37-29)25-5-4-6-26(32-25)30(35)36)16-11-21-7-12-23(13-8-21)24-14-9-22(10-15-24)20-33-17-2-1-3-18-33/h4-10,12-15,19H,1-3,11,16-18,20H2,(H,35,36)
InChIKeyALRPTAKEUYRQIL-UHFFFAOYSA-N
XLogP5.90
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]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 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (CID 24801220) is 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)o2)n1.
What is the InChIKey of 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is ALRPTAKEUYRQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c34-27(29-31-19-28(37-29)25-5-4-6-26(32-25)30(35)36)16-11-21-7-12-23(13-8-21)24-14-9-22(10-15-24)20-33-17-2-1-3-18-33/h4-10,12-15,19H,1-3,11,16-18,20H2,(H,35,36).
What are the key properties of 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 495.58 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 24801220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).