(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one

C28H30ClN3O5S — CID 158023382

About (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one

(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 158023382) has the molecular formula C28H30ClN3O5S and a molecular weight of 556.08 g/mol. Its IUPAC name is (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one
• PubChem CID: 158023382
• Molecular Formula: C28H30ClN3O5S
• Molecular Weight: 556.08 g/mol
• Exact Mass: 555.16
• IUPAC Name: (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc(N2C[C@H](CCC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(OCCNC2CCC2)c1=O
• InChI: InChI=1S/C28H30ClN3O5S/c1-18-16-20(32-17-21(37-28(32)35)8-10-23(33)25-11-12-26(29)38-25)7-9-22(18)31-14-3-6-24(27(31)34)36-15-13-30-19-4-2-5-19/h3,6-7,9,11-12,14,16,19,21,30H,2,4-5,8,10,13,15,17H2,1H3/t21-/m0/s1
• InChIKey: FGHZOFINLFPMQZ-NRFANRHFSA-N
• XLogP: 5.37
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.08
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one (CID 158023382) is (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one is Cc1cc(N2C[C@H](CCC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(OCCNC2CCC2)c1=O.

What is the InChIKey of (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one?

The InChIKey is FGHZOFINLFPMQZ-NRFANRHFSA-N. The full InChI is InChI=1S/C28H30ClN3O5S/c1-18-16-20(32-17-21(37-28(32)35)8-10-23(33)25-11-12-26(29)38-25)7-9-22(18)31-14-3-6-24(27(31)34)36-15-13-30-19-4-2-5-19/h3,6-7,9,11-12,14,16,19,21,30H,2,4-5,8,10,13,15,17H2,1H3/t21-/m0/s1.

What are the key properties of (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one?

(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 556.08 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158023382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).