(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C19H23N5O2S — CID 97275232

About (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97275232) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97275232
• Molecular Formula: C19H23N5O2S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.16
• IUPAC Name: (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)on1
• InChI: InChI=1S/C19H23N5O2S/c1-13(2)16-8-17(26-22-16)19(25)24-6-3-4-14(9-24)18-20-5-7-23(18)10-15-11-27-12-21-15/h5,7-8,11-14H,3-4,6,9-10H2,1-2H3/t14-/m1/s1
• InChIKey: GLJZITLOFPKLGJ-CQSZACIVSA-N
• XLogP: 3.52
• TPSA: 77.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97275232) is (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)on1.

What is the InChIKey of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is GLJZITLOFPKLGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13(2)16-8-17(26-22-16)19(25)24-6-3-4-14(9-24)18-20-5-7-23(18)10-15-11-27-12-21-15/h5,7-8,11-14H,3-4,6,9-10H2,1-2H3/t14-/m1/s1.

What are the key properties of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 385.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97275232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).