(5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H12ClF4N3O3 — CID 162520628

IUPAC(5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2cccc(C(F)(F)F)n2)O1
InChIInChI=1S/C17H12ClF4N3O3/c18-9-6-8(4-5-10(9)19)14(25-15(26)12-7-23-16(27)28-12)11-2-1-3-13(24-11)17(20,21)22/h1-6,12,14H,7H2,(H,23,27)(H,25,26)/t12-,14?/m0/s1
InChIKeyLOQZOZYDJZBAHO-NBFOIZRFSA-N
MW417.75 g/mol
LogP3.21
Rot. Bonds4

About (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520628) has the molecular formula C17H12ClF4N3O3 and a molecular weight of 417.75 g/mol. Its IUPAC name is (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520628
Molecular FormulaC17H12ClF4N3O3
Molecular Weight417.75 g/mol
Exact Mass417.05
IUPAC Name(5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2cccc(C(F)(F)F)n2)O1
InChIInChI=1S/C17H12ClF4N3O3/c18-9-6-8(4-5-10(9)19)14(25-15(26)12-7-23-16(27)28-12)11-2-1-3-13(24-11)17(20,21)22/h1-6,12,14H,7H2,(H,23,27)(H,25,26)/t12-,14?/m0/s1
InChIKeyLOQZOZYDJZBAHO-NBFOIZRFSA-N
XLogP3.21
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.75
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520628) is (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2cccc(C(F)(F)F)n2)O1.
What is the InChIKey of (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is LOQZOZYDJZBAHO-NBFOIZRFSA-N. The full InChI is InChI=1S/C17H12ClF4N3O3/c18-9-6-8(4-5-10(9)19)14(25-15(26)12-7-23-16(27)28-12)11-2-1-3-13(24-11)17(20,21)22/h1-6,12,14H,7H2,(H,23,27)(H,25,26)/t12-,14?/m0/s1.
What are the key properties of (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 417.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).