(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde

C15H19FN4O2Sn — CID 174801611

IUPAC(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde
SMILESC[Sn](C)(C)c1ccc(N2C[C@H](n3ccnn3)OC2C=O)cc1F
InChIInChI=1S/C12H10FN4O2.3CH3.Sn/c13-9-2-1-3-10(6-9)16-7-11(19-12(16)8-18)17-5-4-14-15-17;;;;/h1,3-6,8,11-12H,7H2;3*1H3;/t11-,12?;;;;/m1..../s1
InChIKeyBVQIJZZMGOTOFH-VUUXKGINSA-N
MW425.05 g/mol
LogP1.52
Rot. Bonds4

About (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde

(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174801611) 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-yl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174801611
Molecular FormulaC15H19FN4O2Sn
Molecular Weight425.05 g/mol
Exact Mass426.05
IUPAC Name(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde
SMILESC[Sn](C)(C)c1ccc(N2C[C@H](n3ccnn3)OC2C=O)cc1F
InChIInChI=1S/C12H10FN4O2.3CH3.Sn/c13-9-2-1-3-10(6-9)16-7-11(19-12(16)8-18)17-5-4-14-15-17;;;;/h1,3-6,8,11-12H,7H2;3*1H3;/t11-,12?;;;;/m1..../s1
InChIKeyBVQIJZZMGOTOFH-VUUXKGINSA-N
XLogP1.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.05
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde (CID 174801611) is (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde is C[Sn](C)(C)c1ccc(N2C[C@H](n3ccnn3)OC2C=O)cc1F.
What is the InChIKey of (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is BVQIJZZMGOTOFH-VUUXKGINSA-N. The full InChI is InChI=1S/C12H10FN4O2.3CH3.Sn/c13-9-2-1-3-10(6-9)16-7-11(19-12(16)8-18)17-5-4-14-15-17;;;;/h1,3-6,8,11-12H,7H2;3*1H3;/t11-,12?;;;;/m1..../s1.
What are the key properties of (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde?
(5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 425.05 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-trimethylstannylphenyl)-5-(triazol-1-yl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174801611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).