(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide

C21H16F4N4O3 — CID 129273652

IUPAC(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESC[C@H]1[C@@H](c2cc(F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1ccnc2cccnc12
InChIInChI=1S/C21H16F4N4O3/c1-11-18(13-7-14(21(23,24)25)9-15(22)8-13)32-20(31)29(11)19(30)28-10-12-4-6-26-16-3-2-5-27-17(12)16/h2-9,11,18H,10H2,1H3,(H,28,30)/t11-,18-/m0/s1
InChIKeyUDKLMBMQZLVPFI-VOJFVSQTSA-N
MW448.38 g/mol
LogP4.58
Rot. Bonds3

About (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide

(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273652) has the molecular formula C21H16F4N4O3 and a molecular weight of 448.38 g/mol. Its IUPAC name is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273652
Molecular FormulaC21H16F4N4O3
Molecular Weight448.38 g/mol
Exact Mass448.12
IUPAC Name(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESC[C@H]1[C@@H](c2cc(F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1ccnc2cccnc12
InChIInChI=1S/C21H16F4N4O3/c1-11-18(13-7-14(21(23,24)25)9-15(22)8-13)32-20(31)29(11)19(30)28-10-12-4-6-26-16-3-2-5-27-17(12)16/h2-9,11,18H,10H2,1H3,(H,28,30)/t11-,18-/m0/s1
InChIKeyUDKLMBMQZLVPFI-VOJFVSQTSA-N
XLogP4.58
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide with MolForge

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Related Compounds

tarocin A2
CID 118797941
US11141410, Example 1
CID 129249015
(4S,5S)-5-[6-methoxy-4-(trifluoromethyl)pyridin-2-yl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 129249022
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(isoquinolin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 129249039
US11141410, Example 4
CID 129273420
US11141410, Example 57
CID 129273430
US11141410, Example 15
CID 129273608
US11141410, Example 53
CID 129273613
US11141410, Example 48
CID 129273657
7-Fluoro-1-(4-methoxycyclohexyl)-8-[6-(methoxymethyl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 145952011
7-Fluoro-1-(3-methoxycyclobutyl)-8-[6-(methoxymethyl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 145954357
US11141410, Example 2
CID 129273442

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273652) is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide is C[C@H]1[C@@H](c2cc(F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1ccnc2cccnc12.
What is the InChIKey of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is UDKLMBMQZLVPFI-VOJFVSQTSA-N. The full InChI is InChI=1S/C21H16F4N4O3/c1-11-18(13-7-14(21(23,24)25)9-15(22)8-13)32-20(31)29(11)19(30)28-10-12-4-6-26-16-3-2-5-27-17(12)16/h2-9,11,18H,10H2,1H3,(H,28,30)/t11-,18-/m0/s1.
What are the key properties of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 448.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,5-naphthyridin-4-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).