2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

C19H18FN3O3S — CID 1314307

IUPAC2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C19H18FN3O3S/c1-12-6-5-7-13(2)18(12)25-10-17-22-23-19(26-17)27-11-16(24)21-15-9-4-3-8-14(15)20/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyKKIMMNICYMADPT-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.14
Rot. Bonds7

About 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide

2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 1314307) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID1314307
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C19H18FN3O3S/c1-12-6-5-7-13(2)18(12)25-10-17-22-23-19(26-17)27-11-16(24)21-15-9-4-3-8-14(15)20/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyKKIMMNICYMADPT-UHFFFAOYSA-N
XLogP4.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 1314307) is 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2F)o1.
What is the InChIKey of 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is KKIMMNICYMADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-6-5-7-13(2)18(12)25-10-17-22-23-19(26-17)27-11-16(24)21-15-9-4-3-8-14(15)20/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1314307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).