2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

C29H28FN5O2 — CID 42833048

About 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42833048) has the molecular formula C29H28FN5O2 and a molecular weight of 497.57 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 42833048
• Molecular Formula: C29H28FN5O2
• Molecular Weight: 497.57 g/mol
• Exact Mass: 497.22
• IUPAC Name: 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
• SMILES: O=C(NCCc1ccccn1)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccccc2F)n1
• InChI: InChI=1S/C29H28FN5O2/c30-25-10-3-1-7-22(25)18-35(16-13-21-17-33-26-11-4-2-9-24(21)26)19-28-34-27(20-37-28)29(36)32-15-12-23-8-5-6-14-31-23/h1-11,14,17,20,33H,12-13,15-16,18-19H2,(H,32,36)
• InChIKey: HEZYMKXKEWSSTM-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 87.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.57
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 42833048) is 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1ccccn1)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccccc2F)n1.

What is the InChIKey of 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is HEZYMKXKEWSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O2/c30-25-10-3-1-7-22(25)18-35(16-13-21-17-33-26-11-4-2-9-24(21)26)19-28-34-27(20-37-28)29(36)32-15-12-23-8-5-6-14-31-23/h1-11,14,17,20,33H,12-13,15-16,18-19H2,(H,32,36).

What are the key properties of 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?

2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 4.91, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42833048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).