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

C19H18FN3O3S — CID 7800693

IUPACN-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-25-16-8-4-13(5-9-16)10-18-22-23-19(26-18)27-12-17(24)21-11-14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyBLYQSWXMGKPONQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.22
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7800693) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID7800693
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-25-16-8-4-13(5-9-16)10-18-22-23-19(26-18)27-12-17(24)21-11-14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyBLYQSWXMGKPONQ-UHFFFAOYSA-N
XLogP3.22
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 7800693) is N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(Cc2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BLYQSWXMGKPONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-25-16-8-4-13(5-9-16)10-18-22-23-19(26-18)27-12-17(24)21-11-14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7800693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).