2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone

C19H17FN4O2 — CID 167923813

IUPAC2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1C[C@@H](n2cc(-c3ccccc3)nn2)CO1
InChIInChI=1S/C19H17FN4O2/c20-16-8-6-14(7-9-16)10-19(25)24-11-17(13-26-24)23-12-18(21-22-23)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2/t17-/m1/s1
InChIKeyWTBDSEIPHHLBJB-QGZVFWFLSA-N
MW352.37 g/mol
LogP2.64
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone

2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone (PubChem CID 167923813) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone
PubChem CID167923813
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1C[C@@H](n2cc(-c3ccccc3)nn2)CO1
InChIInChI=1S/C19H17FN4O2/c20-16-8-6-14(7-9-16)10-19(25)24-11-17(13-26-24)23-12-18(21-22-23)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2/t17-/m1/s1
InChIKeyWTBDSEIPHHLBJB-QGZVFWFLSA-N
XLogP2.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone (CID 167923813) is 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone is O=C(Cc1ccc(F)cc1)N1C[C@@H](n2cc(-c3ccccc3)nn2)CO1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone?
The InChIKey is WTBDSEIPHHLBJB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-16-8-6-14(7-9-16)10-19(25)24-11-17(13-26-24)23-12-18(21-22-23)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2/t17-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone?
2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone has a molecular weight of 352.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(4R)-4-(4-phenyltriazol-1-yl)-1,2-oxazolidin-2-yl]ethanone is sourced from PubChem (CID 167923813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).