(2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C27H29ClN2O6 — CID 155254771

About (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254771) has the molecular formula C27H29ClN2O6 and a molecular weight of 512.99 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155254771
• Molecular Formula: C27H29ClN2O6
• Molecular Weight: 512.99 g/mol
• Exact Mass: 512.17
• IUPAC Name: (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: Cc1cc(C)cc(OCC2CN(C34CC(NC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)C(=O)O2)c1
• InChI: InChI=1S/C27H29ClN2O6/c1-15-5-16(2)7-18(6-15)34-11-19-10-30(25(33)35-19)27-12-26(13-27,14-27)29-24(32)23-9-21(31)20-8-17(28)3-4-22(20)36-23/h3-8,19,21,23,31H,9-14H2,1-2H3,(H,29,32)/t19?,21-,23-,26?,27?/m1/s1
• InChIKey: RKMGUPDZBAWAPT-RFCNSKPYSA-N
• XLogP: 3.83
• TPSA: 97.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.99
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254771) is (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is Cc1cc(C)cc(OCC2CN(C34CC(NC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)C(=O)O2)c1.

What is the InChIKey of (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is RKMGUPDZBAWAPT-RFCNSKPYSA-N. The full InChI is InChI=1S/C27H29ClN2O6/c1-15-5-16(2)7-18(6-15)34-11-19-10-30(25(33)35-19)27-12-26(13-27,14-27)29-24(32)23-9-21(31)20-8-17(28)3-4-22(20)36-23/h3-8,19,21,23,31H,9-14H2,1-2H3,(H,29,32)/t19?,21-,23-,26?,27?/m1/s1.

What are the key properties of (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

(2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 512.99 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-6-chloro-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).