N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

C22H29N3O6 — CID 93140721

About N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 93140721) has the molecular formula C22H29N3O6 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 93140721
• Molecular Formula: C22H29N3O6
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.21
• IUPAC Name: N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
• SMILES: COCCNC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cccc(OC)c2)on1
• InChI: InChI=1S/C22H29N3O6/c1-28-12-9-23-21(26)8-10-25(15-18-7-4-11-30-18)22(27)19-14-20(31-24-19)16-5-3-6-17(13-16)29-2/h3,5-6,13-14,18H,4,7-12,15H2,1-2H3,(H,23,26)/t18-/m1/s1
• InChIKey: CVZZJHGVXHRUIF-GOSISDBHSA-N
• XLogP: 2.12
• TPSA: 103.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 93140721) is N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is COCCNC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cccc(OC)c2)on1.

What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is CVZZJHGVXHRUIF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O6/c1-28-12-9-23-21(26)8-10-25(15-18-7-4-11-30-18)22(27)19-14-20(31-24-19)16-5-3-6-17(13-16)29-2/h3,5-6,13-14,18H,4,7-12,15H2,1-2H3,(H,23,26)/t18-/m1/s1.

What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?

N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93140721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).