3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole

C15H14FN3O3S — CID 97031086

IUPAC3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole
SMILESCc1cnc(C[S@@](=O)Cc2nc(-c3ccc(C)c(F)c3)no2)o1
InChIInChI=1S/C15H14FN3O3S/c1-9-3-4-11(5-12(9)16)15-18-14(22-19-15)8-23(20)7-13-17-6-10(2)21-13/h3-6H,7-8H2,1-2H3/t23-/m1/s1
InChIKeyMDCODKJLTDWWLJ-HSZRJFAPSA-N
MW335.36 g/mol
LogP2.93
Rot. Bonds5

About 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole

3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole (PubChem CID 97031086) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole
PubChem CID97031086
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole
SMILESCc1cnc(C[S@@](=O)Cc2nc(-c3ccc(C)c(F)c3)no2)o1
InChIInChI=1S/C15H14FN3O3S/c1-9-3-4-11(5-12(9)16)15-18-14(22-19-15)8-23(20)7-13-17-6-10(2)21-13/h3-6H,7-8H2,1-2H3/t23-/m1/s1
InChIKeyMDCODKJLTDWWLJ-HSZRJFAPSA-N
XLogP2.93
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349162
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345348
3-(3-fluoro-4-methylphenyl)-5-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86917000
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoic acid
CID 62934394
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(trifluoromethyl)benzoate
CID 46519572
2-[2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenoxy]ethanol
CID 78878303
3-(3-fluoro-4-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 51081883
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
CID 87023120
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dimethylphenoxy)acetate
CID 46511581

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole (CID 97031086) is 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole is Cc1cnc(C[S@@](=O)Cc2nc(-c3ccc(C)c(F)c3)no2)o1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole?
The InChIKey is MDCODKJLTDWWLJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-9-3-4-11(5-12(9)16)15-18-14(22-19-15)8-23(20)7-13-17-6-10(2)21-13/h3-6H,7-8H2,1-2H3/t23-/m1/s1.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole?
3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole has a molecular weight of 335.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97031086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).