(4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide

C21H17F3N4O3 — CID 129273608

IUPAC(4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide
SMILESC[C@H]1[C@@H](c2cccc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cncc2cccnc12
InChIInChI=1S/C21H17F3N4O3/c1-12-18(13-4-2-6-16(8-13)21(22,23)24)31-20(30)28(12)19(29)27-11-15-10-25-9-14-5-3-7-26-17(14)15/h2-10,12,18H,11H2,1H3,(H,27,29)/t12-,18-/m0/s1
InChIKeyYUTBWRJYCPVPOG-SGTLLEGYSA-N
MW430.39 g/mol
LogP4.44
Rot. Bonds3

About (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide

(4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide (PubChem CID 129273608) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide
PubChem CID129273608
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name(4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide
SMILESC[C@H]1[C@@H](c2cccc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cncc2cccnc12
InChIInChI=1S/C21H17F3N4O3/c1-12-18(13-4-2-6-16(8-13)21(22,23)24)31-20(30)28(12)19(29)27-11-15-10-25-9-14-5-3-7-26-17(14)15/h2-10,12,18H,11H2,1H3,(H,27,29)/t12-,18-/m0/s1
InChIKeyYUTBWRJYCPVPOG-SGTLLEGYSA-N
XLogP4.44
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide (CID 129273608) is (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide is C[C@H]1[C@@H](c2cccc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cncc2cccnc12.
What is the InChIKey of (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide?
The InChIKey is YUTBWRJYCPVPOG-SGTLLEGYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-12-18(13-4-2-6-16(8-13)21(22,23)24)31-20(30)28(12)19(29)27-11-15-10-25-9-14-5-3-7-26-17(14)15/h2-10,12,18H,11H2,1H3,(H,27,29)/t12-,18-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide?
(4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).