(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C20H23FN4O4S — CID 10025920

IUPAC(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C20H23FN4O4S/c1-13(2)19-12-24(23-22-19)10-16-11-25(20(26)29-16)15-3-4-17(18(21)9-15)14-5-7-30(27,28)8-6-14/h3-5,9,12-13,16H,6-8,10-11H2,1-2H3/t16-/m0/s1
InChIKeyIAAMYGAUILRLIF-INIZCTEOSA-N
MW434.49 g/mol
LogP2.77
Rot. Bonds5

About (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 10025920) has the molecular formula C20H23FN4O4S and a molecular weight of 434.49 g/mol. Its IUPAC name is (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID10025920
Molecular FormulaC20H23FN4O4S
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC Name(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C20H23FN4O4S/c1-13(2)19-12-24(23-22-19)10-16-11-25(20(26)29-16)15-3-4-17(18(21)9-15)14-5-7-30(27,28)8-6-14/h3-5,9,12-13,16H,6-8,10-11H2,1-2H3/t16-/m0/s1
InChIKeyIAAMYGAUILRLIF-INIZCTEOSA-N
XLogP2.77
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 10025920) is (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is CC(C)c1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1.
What is the InChIKey of (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is IAAMYGAUILRLIF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23FN4O4S/c1-13(2)19-12-24(23-22-19)10-16-11-25(20(26)29-16)15-3-4-17(18(21)9-15)14-5-7-30(27,28)8-6-14/h3-5,9,12-13,16H,6-8,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 434.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10025920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).