[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

C26H29ClN4O3S — CID 90309447

About [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 90309447) has the molecular formula C26H29ClN4O3S and a molecular weight of 513.06 g/mol. Its IUPAC name is [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

• Compound Name: [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
• PubChem CID: 90309447
• Molecular Formula: C26H29ClN4O3S
• Molecular Weight: 513.06 g/mol
• Exact Mass: 512.16
• IUPAC Name: [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
• SMILES: Cc1cccc2c1cc(OC(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1
• InChI: InChI=1S/C26H29ClN4O3S/c1-16(2)30-11-9-18(10-12-30)28-26(32)33-25-14-20-17(3)5-4-6-21(20)31(25)15-19-13-22(34-29-19)23-7-8-24(27)35-23/h4-8,13-14,16,18H,9-12,15H2,1-3H3,(H,28,32)
• InChIKey: TZPJKDOTIPSQQF-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 72.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.06
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?

The IUPAC name of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (CID 90309447) is [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.

What is the SMILES notation for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?

The canonical SMILES for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is Cc1cccc2c1cc(OC(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1.

What is the InChIKey of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?

The InChIKey is TZPJKDOTIPSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3S/c1-16(2)30-11-9-18(10-12-30)28-26(32)33-25-14-20-17(3)5-4-6-21(20)31(25)15-19-13-22(34-29-19)23-7-8-24(27)35-23/h4-8,13-14,16,18H,9-12,15H2,1-3H3,(H,28,32).

What are the key properties of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 513.06 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 90309447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).