2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide

C27H25N5O4 — CID 46885819

About 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide

2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 46885819) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
• PubChem CID: 46885819
• Molecular Formula: C27H25N5O4
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.19
• IUPAC Name: 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
• SMILES: COc1ccc(C2=NC(C(=O)NCc3cn(Cc4cccc(Oc5ccccc5)c4)nn3)CO2)cc1
• InChI: InChI=1S/C27H25N5O4/c1-34-22-12-10-20(11-13-22)27-29-25(18-35-27)26(33)28-15-21-17-32(31-30-21)16-19-6-5-9-24(14-19)36-23-7-3-2-4-8-23/h2-14,17,25H,15-16,18H2,1H3,(H,28,33)
• InChIKey: GNMVSBKSJWWUEZ-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 99.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 46885819) is 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is COc1ccc(C2=NC(C(=O)NCc3cn(Cc4cccc(Oc5ccccc5)c4)nn3)CO2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?

The InChIKey is GNMVSBKSJWWUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-34-22-12-10-20(11-13-22)27-29-25(18-35-27)26(33)28-15-21-17-32(31-30-21)16-19-6-5-9-24(14-19)36-23-7-3-2-4-8-23/h2-14,17,25H,15-16,18H2,1H3,(H,28,33).

What are the key properties of 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?

2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46885819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).