(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C15H19FN4O2Sn — CID 11212438

IUPAC(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESC[Sn](C)(C)c1ccc(N2C[C@H](Cn3ccnn3)OC2=O)cc1F
InChIInChI=1S/C12H10FN4O2.3CH3.Sn/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16;;;;/h1,3-6,11H,7-8H2;3*1H3;/t11-;;;;/m0..../s1
InChIKeyQVYAYUDDWAQCPF-HZAYLZKLSA-N
MW425.05 g/mol
LogP1.99
Rot. Bonds4

About (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11212438) has the molecular formula C15H19FN4O2Sn and a molecular weight of 425.05 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11212438
Molecular FormulaC15H19FN4O2Sn
Molecular Weight425.05 g/mol
Exact Mass426.05
IUPAC Name(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESC[Sn](C)(C)c1ccc(N2C[C@H](Cn3ccnn3)OC2=O)cc1F
InChIInChI=1S/C12H10FN4O2.3CH3.Sn/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16;;;;/h1,3-6,11H,7-8H2;3*1H3;/t11-;;;;/m0..../s1
InChIKeyQVYAYUDDWAQCPF-HZAYLZKLSA-N
XLogP1.99
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.05
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11212438) is (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is C[Sn](C)(C)c1ccc(N2C[C@H](Cn3ccnn3)OC2=O)cc1F.
What is the InChIKey of (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QVYAYUDDWAQCPF-HZAYLZKLSA-N. The full InChI is InChI=1S/C12H10FN4O2.3CH3.Sn/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16;;;;/h1,3-6,11H,7-8H2;3*1H3;/t11-;;;;/m0..../s1.
What are the key properties of (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 425.05 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11212438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).