(4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C28H25N3O5S — CID 93201626

About (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

(4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 93201626) has the molecular formula C28H25N3O5S and a molecular weight of 515.59 g/mol. Its IUPAC name is (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93201626
• Molecular Formula: C28H25N3O5S
• Molecular Weight: 515.59 g/mol
• Exact Mass: 515.15
• IUPAC Name: (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NCc2ccco2)c1
• InChI: InChI=1S/C28H25N3O5S/c1-18-5-2-6-19(15-18)17-31-24(27(33)29-16-22-7-3-13-35-22)25(36-28(31)34)20-9-11-21(12-10-20)30-26(32)23-8-4-14-37-23/h2-15,24-25H,16-17H2,1H3,(H,29,33)(H,30,32)/t24-,25+/m0/s1
• InChIKey: BZXPMXGOWVDTBV-LOSJGSFVSA-N
• XLogP: 5.28
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.59
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 93201626) is (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NCc2ccco2)c1.

What is the InChIKey of (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The InChIKey is BZXPMXGOWVDTBV-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H25N3O5S/c1-18-5-2-6-19(15-18)17-31-24(27(33)29-16-22-7-3-13-35-22)25(36-28(31)34)20-9-11-21(12-10-20)30-26(32)23-8-4-14-37-23/h2-15,24-25H,16-17H2,1H3,(H,29,33)(H,30,32)/t24-,25+/m0/s1.

What are the key properties of (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

(4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93201626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).