N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

C19H19ClN4O5S — CID 11583256

About N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 11583256) has the molecular formula C19H19ClN4O5S and a molecular weight of 450.90 g/mol. Its IUPAC name is N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• PubChem CID: 11583256
• Molecular Formula: C19H19ClN4O5S
• Molecular Weight: 450.90 g/mol
• Exact Mass: 450.08
• IUPAC Name: N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• SMILES: Nc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1N1CCOCC1=O
• InChI: InChI=1S/C19H19ClN4O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10,21H2,(H,22,26)/t12-/m0/s1
• InChIKey: INLXEGDYWOAZAA-LBPRGKRZSA-N
• XLogP: 2.10
• TPSA: 114.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.90
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (CID 11583256) is N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

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

The canonical SMILES for N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is Nc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1N1CCOCC1=O.

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

The InChIKey is INLXEGDYWOAZAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN4O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10,21H2,(H,22,26)/t12-/m0/s1.

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

N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 450.90 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-amino-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 11583256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).