(5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H13ClF3N3O3 — CID 162520644

About (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520644) has the molecular formula C17H13ClF3N3O3 and a molecular weight of 399.76 g/mol. Its IUPAC name is (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
• PubChem CID: 162520644
• Molecular Formula: C17H13ClF3N3O3
• Molecular Weight: 399.76 g/mol
• Exact Mass: 399.06
• IUPAC Name: (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
• SMILES: O=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cn2)O1
• InChI: InChI=1S/C17H13ClF3N3O3/c18-11-4-1-9(2-5-11)14(24-15(25)13-8-23-16(26)27-13)12-6-3-10(7-22-12)17(19,20)21/h1-7,13-14H,8H2,(H,23,26)(H,24,25)/t13-,14?/m0/s1
• InChIKey: FYRHFYBGEJDFHD-LSLKUGRBSA-N
• XLogP: 3.07
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.76
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?

The IUPAC name of (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520644) is (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

What is the SMILES notation for (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?

The canonical SMILES for (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cn2)O1.

What is the InChIKey of (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?

The InChIKey is FYRHFYBGEJDFHD-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H13ClF3N3O3/c18-11-4-1-9(2-5-11)14(24-15(25)13-8-23-16(26)27-13)12-6-3-10(7-22-12)17(19,20)21/h1-7,13-14H,8H2,(H,23,26)(H,24,25)/t13-,14?/m0/s1.

What are the key properties of (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?

(5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 399.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).