[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

C20H21N3O3S — CID 125023310

About [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 125023310) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
• PubChem CID: 125023310
• Molecular Formula: C20H21N3O3S
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.13
• IUPAC Name: [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
• SMILES: COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cncs2)o1
• InChI: InChI=1S/C20H21N3O3S/c1-25-17-8-3-2-6-14(17)10-15-11-22-19(26-15)16-7-4-5-9-23(16)20(24)18-12-21-13-27-18/h2-3,6,8,11-13,16H,4-5,7,9-10H2,1H3/t16-/m0/s1
• InChIKey: YXGPOUNTPFDMML-INIZCTEOSA-N
• XLogP: 4.10
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?

The IUPAC name of [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 125023310) is [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

What is the SMILES notation for [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?

The canonical SMILES for [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cncs2)o1.

What is the InChIKey of [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?

The InChIKey is YXGPOUNTPFDMML-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-17-8-3-2-6-14(17)10-15-11-22-19(26-15)16-7-4-5-9-23(16)20(24)18-12-21-13-27-18/h2-3,6,8,11-13,16H,4-5,7,9-10H2,1H3/t16-/m0/s1.

What are the key properties of [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?

[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 383.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 125023310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).