(5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one

C17H14F3N5O3 — CID 25184466

IUPAC(5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1C=CN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)c(F)c2F)CC1
InChIInChI=1S/C17H14F3N5O3/c18-12-7-13(14(19)15(20)16(12)23-4-1-10(26)2-5-23)25-9-11(28-17(25)27)8-24-6-3-21-22-24/h1,3-4,6-7,11H,2,5,8-9H2/t11-/m0/s1
InChIKeyIRRLJLGSIBVBDR-NSHDSACASA-N
MW393.33 g/mol
LogP2.01
Rot. Bonds4

About (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one

(5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 25184466) has the molecular formula C17H14F3N5O3 and a molecular weight of 393.33 g/mol. Its IUPAC name is (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID25184466
Molecular FormulaC17H14F3N5O3
Molecular Weight393.33 g/mol
Exact Mass393.10
IUPAC Name(5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1C=CN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)c(F)c2F)CC1
InChIInChI=1S/C17H14F3N5O3/c18-12-7-13(14(19)15(20)16(12)23-4-1-10(26)2-5-23)25-9-11(28-17(25)27)8-24-6-3-21-22-24/h1,3-4,6-7,11H,2,5,8-9H2/t11-/m0/s1
InChIKeyIRRLJLGSIBVBDR-NSHDSACASA-N
XLogP2.01
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 25184466) is (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one is O=C1C=CN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)c(F)c2F)CC1.
What is the InChIKey of (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is IRRLJLGSIBVBDR-NSHDSACASA-N. The full InChI is InChI=1S/C17H14F3N5O3/c18-12-7-13(14(19)15(20)16(12)23-4-1-10(26)2-5-23)25-9-11(28-17(25)27)8-24-6-3-21-22-24/h1,3-4,6-7,11H,2,5,8-9H2/t11-/m0/s1.
What are the key properties of (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 393.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25184466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).