2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

C14H16ClN3O3S — CID 2482375

IUPAC2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(COc2ccccc2Cl)o1
InChIInChI=1S/C14H16ClN3O3S/c1-9(2)16-12(19)8-22-14-18-17-13(21-14)7-20-11-6-4-3-5-10(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyPVVYLLXBFSHQFL-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.92
Rot. Bonds7

About 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 2482375) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID2482375
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(COc2ccccc2Cl)o1
InChIInChI=1S/C14H16ClN3O3S/c1-9(2)16-12(19)8-22-14-18-17-13(21-14)7-20-11-6-4-3-5-10(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyPVVYLLXBFSHQFL-UHFFFAOYSA-N
XLogP2.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (CID 2482375) is 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnc(COc2ccccc2Cl)o1.
What is the InChIKey of 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is PVVYLLXBFSHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-9(2)16-12(19)8-22-14-18-17-13(21-14)7-20-11-6-4-3-5-10(11)15/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 341.82 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2482375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).