3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide

C26H29ClN4O3 — CID 30575417

About 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide (PubChem CID 30575417) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 30575417
• Molecular Formula: C26H29ClN4O3
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.19
• IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1
• InChI: InChI=1S/C26H29ClN4O3/c1-17-24(25(29-34-17)20-5-3-4-6-21(20)27)26(32)28-16-23(31-11-13-33-14-12-31)18-7-8-22-19(15-18)9-10-30(22)2/h3-8,15,23H,9-14,16H2,1-2H3,(H,28,32)/t23-/m1/s1
• InChIKey: MHVSTNBRQKRPSG-HSZRJFAPSA-N
• XLogP: 4.10
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide (CID 30575417) is 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1.

What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide?

The InChIKey is MHVSTNBRQKRPSG-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-17-24(25(29-34-17)20-5-3-4-6-21(20)27)26(32)28-16-23(31-11-13-33-14-12-31)18-7-8-22-19(15-18)9-10-30(22)2/h3-8,15,23H,9-14,16H2,1-2H3,(H,28,32)/t23-/m1/s1.

What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide?

3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 30575417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).