3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H13ClF3N3O3 — CID 168849449

IUPAC3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@H](c2ccc(Cl)cc2)c2ccc(F)c(C(F)F)n2)C(=O)O1
InChIInChI=1S/C17H13ClF3N3O3/c18-9-3-1-8(2-4-9)14(24-7-12(16(22)25)27-17(24)26)11-6-5-10(19)13(23-11)15(20)21/h1-6,12,14-15H,7H2,(H2,22,25)/t12?,14-/m1/s1
InChIKeyKRTSTZNVNLCGJD-TYZXPVIJSA-N
MW399.76 g/mol
LogP3.21
Rot. Bonds5

About 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 168849449) has the molecular formula C17H13ClF3N3O3 and a molecular weight of 399.76 g/mol. Its IUPAC name is 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID168849449
Molecular FormulaC17H13ClF3N3O3
Molecular Weight399.76 g/mol
Exact Mass399.06
IUPAC Name3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@H](c2ccc(Cl)cc2)c2ccc(F)c(C(F)F)n2)C(=O)O1
InChIInChI=1S/C17H13ClF3N3O3/c18-9-3-1-8(2-4-9)14(24-7-12(16(22)25)27-17(24)26)11-6-5-10(19)13(23-11)15(20)21/h1-6,12,14-15H,7H2,(H2,22,25)/t12?,14-/m1/s1
InChIKeyKRTSTZNVNLCGJD-TYZXPVIJSA-N
XLogP3.21
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

(5S)-N-[(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520641
4-{3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoyl}-2-(trifluoromethyl)morpholine
CID 56879161
(5R)-3-{[6-(4-Chloro-2-fluorophenyl)pyridin-3-yl]methyl}-5-methyl-1,3-oxazolidin-2-one
CID 68815440
(5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520565
(5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520567
(5S)-N-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520568
(5S)-N-[(S)-(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520577
(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520586
(5S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520598
(5S)-N-[(R)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520611
(5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520624
(5S)-N-[(3-chloro-4-fluorophenyl)-[6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520628

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 168849449) is 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)C1CN([C@H](c2ccc(Cl)cc2)c2ccc(F)c(C(F)F)n2)C(=O)O1.
What is the InChIKey of 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is KRTSTZNVNLCGJD-TYZXPVIJSA-N. The full InChI is InChI=1S/C17H13ClF3N3O3/c18-9-3-1-8(2-4-9)14(24-7-12(16(22)25)27-17(24)26)11-6-5-10(19)13(23-11)15(20)21/h1-6,12,14-15H,7H2,(H2,22,25)/t12?,14-/m1/s1.
What are the key properties of 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 399.76 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 168849449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).