N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide

C15H12ClN3O3S — CID 25284412

IUPACN-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(Cc2ccc(Cl)s2)o1
InChIInChI=1S/C15H12ClN3O3S/c16-12-7-6-11(23-12)8-14-18-19-15(22-14)17-13(20)9-21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20)
InChIKeyUDRNTJMOTQDPNB-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.39
Rot. Bonds6

About N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide

N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 25284412) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
PubChem CID25284412
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC NameN-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(Cc2ccc(Cl)s2)o1
InChIInChI=1S/C15H12ClN3O3S/c16-12-7-6-11(23-12)8-14-18-19-15(22-14)17-13(20)9-21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20)
InChIKeyUDRNTJMOTQDPNB-UHFFFAOYSA-N
XLogP3.39
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (CID 25284412) is N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nnc(Cc2ccc(Cl)s2)o1.
What is the InChIKey of N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is UDRNTJMOTQDPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-12-7-6-11(23-12)8-14-18-19-15(22-14)17-13(20)9-21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20).
What are the key properties of N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 349.80 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 25284412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).