N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide

C20H30N4O6 — CID 7397522

About N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide

N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide (PubChem CID 7397522) has the molecular formula C20H30N4O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide
• PubChem CID: 7397522
• Molecular Formula: C20H30N4O6
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.22
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide
• SMILES: Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)C[C@H]2CCCO2)no1
• InChI: InChI=1S/C20H30N4O6/c1-14-10-17(23-30-14)22-18(25)6-7-20(27)24(12-16-5-3-9-29-16)13-19(26)21-11-15-4-2-8-28-15/h10,15-16H,2-9,11-13H2,1H3,(H,21,26)(H,22,23,25)/t15-,16+/m0/s1
• InChIKey: LESPRFOIKKJSOZ-JKSUJKDBSA-N
• XLogP: 1.00
• TPSA: 123.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide (CID 7397522) is N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide is Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)C[C@H]2CCCO2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide?

The InChIKey is LESPRFOIKKJSOZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H30N4O6/c1-14-10-17(23-30-14)22-18(25)6-7-20(27)24(12-16-5-3-9-29-16)13-19(26)21-11-15-4-2-8-28-15/h10,15-16H,2-9,11-13H2,1H3,(H,21,26)(H,22,23,25)/t15-,16+/m0/s1.

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide?

N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide has a molecular weight of 422.48 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide is sourced from PubChem (CID 7397522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).