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

C22H16F6N4O4 — CID 129273613

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCc1cncc2cccnc12)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1CO
InChIInChI=1S/C22H16F6N4O4/c23-21(24,25)14-4-12(5-15(6-14)22(26,27)28)18-16(10-33)32(20(35)36-18)19(34)31-9-13-8-29-7-11-2-1-3-30-17(11)13/h1-8,16,18,33H,9-10H2,(H,31,34)/t16-,18+/m0/s1
InChIKeyQCNWTCKRZOPGGW-FUHWJXTLSA-N
MW514.38 g/mol
LogP4.43
Rot. Bonds4

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

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273613) has the molecular formula C22H16F6N4O4 and a molecular weight of 514.38 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273613
Molecular FormulaC22H16F6N4O4
Molecular Weight514.38 g/mol
Exact Mass514.11
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCc1cncc2cccnc12)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1CO
InChIInChI=1S/C22H16F6N4O4/c23-21(24,25)14-4-12(5-15(6-14)22(26,27)28)18-16(10-33)32(20(35)36-18)19(34)31-9-13-8-29-7-11-2-1-3-30-17(11)13/h1-8,16,18,33H,9-10H2,(H,31,34)/t16-,18+/m0/s1
InChIKeyQCNWTCKRZOPGGW-FUHWJXTLSA-N
XLogP4.43
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-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,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273613) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide is O=C(NCc1cncc2cccnc12)N1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1CO.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is QCNWTCKRZOPGGW-FUHWJXTLSA-N. The full InChI is InChI=1S/C22H16F6N4O4/c23-21(24,25)14-4-12(5-15(6-14)22(26,27)28)18-16(10-33)32(20(35)36-18)19(34)31-9-13-8-29-7-11-2-1-3-30-17(11)13/h1-8,16,18,33H,9-10H2,(H,31,34)/t16-,18+/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 514.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).