[3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C18H24N4O4S — CID 170451312

About [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 170451312) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 170451312
• Molecular Formula: C18H24N4O4S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.15
• IUPAC Name: [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• SMILES: Cc1cc(CC(=O)Nc2ncc(C3CCC(OC(=O)NC(C)C)C3)s2)on1
• InChI: InChI=1S/C18H24N4O4S/c1-10(2)20-18(24)25-13-5-4-12(7-13)15-9-19-17(27-15)21-16(23)8-14-6-11(3)22-26-14/h6,9-10,12-13H,4-5,7-8H2,1-3H3,(H,20,24)(H,19,21,23)
• InChIKey: JPOPZNOAFGDILF-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 170451312) is [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is Cc1cc(CC(=O)Nc2ncc(C3CCC(OC(=O)NC(C)C)C3)s2)on1.

What is the InChIKey of [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is JPOPZNOAFGDILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-10(2)20-18(24)25-13-5-4-12(7-13)15-9-19-17(27-15)21-16(23)8-14-6-11(3)22-26-14/h6,9-10,12-13H,4-5,7-8H2,1-3H3,(H,20,24)(H,19,21,23).

What are the key properties of [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

[3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 392.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170451312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).