3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C21H24N4O2S — CID 30185079

About 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 30185079) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 30185079
• Molecular Formula: C21H24N4O2S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.16
• IUPAC Name: 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(CN2CCCCC2)cs1
• InChI: InChI=1S/C21H24N4O2S/c26-19(9-10-20-22-13-18(27-20)16-7-3-1-4-8-16)24-21-23-17(15-28-21)14-25-11-5-2-6-12-25/h1,3-4,7-8,13,15H,2,5-6,9-12,14H2,(H,23,24,26)
• InChIKey: LOPNQDPOVMHJJV-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 30185079) is 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(CN2CCCCC2)cs1.

What is the InChIKey of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is LOPNQDPOVMHJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-19(9-10-20-22-13-18(27-20)16-7-3-1-4-8-16)24-21-23-17(15-28-21)14-25-11-5-2-6-12-25/h1,3-4,7-8,13,15H,2,5-6,9-12,14H2,(H,23,24,26).

What are the key properties of 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 396.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30185079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).