(5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone

C26H31ClN4O3 — CID 69165508

About (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone

(5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone (PubChem CID 69165508) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone.

Molecular Properties

• Compound Name: (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
• PubChem CID: 69165508
• Molecular Formula: C26H31ClN4O3
• Molecular Weight: 483.01 g/mol
• Exact Mass: 482.21
• IUPAC Name: (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
• SMILES: CC(C)Oc1ccccc1N1CCN(CC2CC(C(=O)C3CNc4ccc(Cl)cc43)=NO2)CC1
• InChI: InChI=1S/C26H31ClN4O3/c1-17(2)33-25-6-4-3-5-24(25)31-11-9-30(10-12-31)16-19-14-23(29-34-19)26(32)21-15-28-22-8-7-18(27)13-20(21)22/h3-8,13,17,19,21,28H,9-12,14-16H2,1-2H3
• InChIKey: SQRPJPOIYQUVQZ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 66.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.01
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?

The IUPAC name of (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone (CID 69165508) is (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone.

What is the SMILES notation for (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?

The canonical SMILES for (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone is CC(C)Oc1ccccc1N1CCN(CC2CC(C(=O)C3CNc4ccc(Cl)cc43)=NO2)CC1.

What is the InChIKey of (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?

The InChIKey is SQRPJPOIYQUVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-17(2)33-25-6-4-3-5-24(25)31-11-9-30(10-12-31)16-19-14-23(29-34-19)26(32)21-15-28-22-8-7-18(27)13-20(21)22/h3-8,13,17,19,21,28H,9-12,14-16H2,1-2H3.

What are the key properties of (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone?

(5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone has a molecular weight of 483.01 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-2,3-dihydro-1H-indol-3-yl)-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 69165508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).