(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide

C21H18F3N5O5 — CID 129273415

IUPAC(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4cccnc34)[C@H]2CO)n1
InChIInChI=1S/C21H18F3N5O5/c1-33-16-6-13(21(22,23)24)5-14(28-16)18-15(10-30)29(20(32)34-18)19(31)27-9-12-8-25-7-11-3-2-4-26-17(11)12/h2-8,15,18,30H,9-10H2,1H3,(H,27,31)/t15-,18+/m0/s1
InChIKeyCPSKCJUIQDHKAB-MAUKXSAKSA-N
MW477.40 g/mol
LogP2.82
Rot. Bonds5

About (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide

(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273415) has the molecular formula C21H18F3N5O5 and a molecular weight of 477.40 g/mol. Its IUPAC name is (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273415
Molecular FormulaC21H18F3N5O5
Molecular Weight477.40 g/mol
Exact Mass477.13
IUPAC Name(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4cccnc34)[C@H]2CO)n1
InChIInChI=1S/C21H18F3N5O5/c1-33-16-6-13(21(22,23)24)5-14(28-16)18-15(10-30)29(20(32)34-18)19(31)27-9-12-8-25-7-11-3-2-4-26-17(11)12/h2-8,15,18,30H,9-10H2,1H3,(H,27,31)/t15-,18+/m0/s1
InChIKeyCPSKCJUIQDHKAB-MAUKXSAKSA-N
XLogP2.82
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273415) is (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide is COc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4cccnc34)[C@H]2CO)n1.
What is the InChIKey of (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is CPSKCJUIQDHKAB-MAUKXSAKSA-N. The full InChI is InChI=1S/C21H18F3N5O5/c1-33-16-6-13(21(22,23)24)5-14(28-16)18-15(10-30)29(20(32)34-18)19(31)27-9-12-8-25-7-11-3-2-4-26-17(11)12/h2-8,15,18,30H,9-10H2,1H3,(H,27,31)/t15-,18+/m0/s1.
What are the key properties of (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 477.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).