2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

C35H41N5O8 — CID 25033340

About 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate (PubChem CID 25033340) has the molecular formula C35H41N5O8 and a molecular weight of 659.74 g/mol. Its IUPAC name is 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate.

Molecular Properties

• Compound Name: 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
• PubChem CID: 25033340
• Molecular Formula: C35H41N5O8
• Molecular Weight: 659.74 g/mol
• Exact Mass: 659.30
• IUPAC Name: 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
• SMILES: CC1(C)OC(=O)NC1C(=O)NN(Cc1ccc(-c2ccccn2)cc1)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12
• InChI: InChI=1S/C35H41N5O8/c1-35(2)30(38-34(44)48-35)31(42)39-40(19-23-11-13-24(14-12-23)26-10-6-7-16-36-26)20-28(41)27(18-22-8-4-3-5-9-22)37-33(43)47-29-21-46-32-25(29)15-17-45-32/h3-14,16,25,27-30,32,41H,15,17-21H2,1-2H3,(H,37,43)(H,38,44)(H,39,42)
• InChIKey: MZRXSPRMGKPGEU-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 160.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	659.74
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate?

The IUPAC name of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate (CID 25033340) is 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate.

What is the SMILES notation for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate?

The canonical SMILES for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate is CC1(C)OC(=O)NC1C(=O)NN(Cc1ccc(-c2ccccn2)cc1)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12.

What is the InChIKey of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate?

The InChIKey is MZRXSPRMGKPGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O8/c1-35(2)30(38-34(44)48-35)31(42)39-40(19-23-11-13-24(14-12-23)26-10-6-7-16-36-26)20-28(41)27(18-22-8-4-3-5-9-22)37-33(43)47-29-21-46-32-25(29)15-17-45-32/h3-14,16,25,27-30,32,41H,15,17-21H2,1-2H3,(H,37,43)(H,38,44)(H,39,42).

What are the key properties of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate?

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate has a molecular weight of 659.74 g/mol, XLogP of 2.93, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 25033340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).