2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide

C16H19FN4O4S — CID 8567021

IUPAC2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide
SMILESC[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)NCC(=O)N(C)C)o1
InChIInChI=1S/C16H19FN4O4S/c1-10(24-12-6-4-11(17)5-7-12)15-19-20-16(25-15)26-9-13(22)18-8-14(23)21(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t10-/m1/s1
InChIKeyGFRMAVZRHKIZRF-SNVBAGLBSA-N
MW382.42 g/mol
LogP1.65
Rot. Bonds8

About 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide

2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide (PubChem CID 8567021) has the molecular formula C16H19FN4O4S and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide
PubChem CID8567021
Molecular FormulaC16H19FN4O4S
Molecular Weight382.42 g/mol
Exact Mass382.11
IUPAC Name2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide
SMILESC[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)NCC(=O)N(C)C)o1
InChIInChI=1S/C16H19FN4O4S/c1-10(24-12-6-4-11(17)5-7-12)15-19-20-16(25-15)26-9-13(22)18-8-14(23)21(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t10-/m1/s1
InChIKeyGFRMAVZRHKIZRF-SNVBAGLBSA-N
XLogP1.65
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide (CID 8567021) is 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide is C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)NCC(=O)N(C)C)o1.
What is the InChIKey of 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is GFRMAVZRHKIZRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19FN4O4S/c1-10(24-12-6-4-11(17)5-7-12)15-19-20-16(25-15)26-9-13(22)18-8-14(23)21(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,22)/t10-/m1/s1.
What are the key properties of 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide?
2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 382.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 8567021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).