5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole

C15H13FN2O2S — CID 75424008

IUPAC5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESCc1cc(CSCc2ncc(-c3cccc(F)c3)o2)on1
InChIInChI=1S/C15H13FN2O2S/c1-10-5-13(20-18-10)8-21-9-15-17-7-14(19-15)11-3-2-4-12(16)6-11/h2-7H,8-9H2,1H3
InChIKeyLKKXWQPJHDDZAZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.21
Rot. Bonds5

About 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole

5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole (PubChem CID 75424008) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
PubChem CID75424008
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESCc1cc(CSCc2ncc(-c3cccc(F)c3)o2)on1
InChIInChI=1S/C15H13FN2O2S/c1-10-5-13(20-18-10)8-21-9-15-17-7-14(19-15)11-3-2-4-12(16)6-11/h2-7H,8-9H2,1H3
InChIKeyLKKXWQPJHDDZAZ-UHFFFAOYSA-N
XLogP4.21
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole (CID 75424008) is 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole is Cc1cc(CSCc2ncc(-c3cccc(F)c3)o2)on1.
What is the InChIKey of 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole?
The InChIKey is LKKXWQPJHDDZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-10-5-13(20-18-10)8-21-9-15-17-7-14(19-15)11-3-2-4-12(16)6-11/h2-7H,8-9H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole?
5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole has a molecular weight of 304.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 75424008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).