5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C21H23N3O3S — CID 142196950

About 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 142196950) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 142196950
• Molecular Formula: C21H23N3O3S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.15
• IUPAC Name: 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(C(=O)NCC2CN(c3ccc(N4C=CC(C)C4)cc3)C(=O)O2)s1
• InChI: InChI=1S/C21H23N3O3S/c1-14-9-10-23(12-14)16-4-6-17(7-5-16)24-13-18(27-21(24)26)11-22-20(25)19-8-3-15(2)28-19/h3-10,14,18H,11-13H2,1-2H3,(H,22,25)
• InChIKey: YTFLCUYLIRSFGP-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 142196950) is 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC2CN(c3ccc(N4C=CC(C)C4)cc3)C(=O)O2)s1.

What is the InChIKey of 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is YTFLCUYLIRSFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-9-10-23(12-14)16-4-6-17(7-5-16)24-13-18(27-21(24)26)11-22-20(25)19-8-3-15(2)28-19/h3-10,14,18H,11-13H2,1-2H3,(H,22,25).

What are the key properties of 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[3-[4-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 142196950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).