N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide

C21H17N3O2S — CID 1026551

IUPACN-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnc(-c3ccc(NC(=O)Cc4cccs4)cc3)o2)cc1
InChIInChI=1S/C21H17N3O2S/c1-14-4-6-15(7-5-14)20-23-24-21(26-20)16-8-10-17(11-9-16)22-19(25)13-18-3-2-12-27-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyLRZDWJSTQDTGRF-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.95
Rot. Bonds5

About N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 1026551) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID1026551
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnc(-c3ccc(NC(=O)Cc4cccs4)cc3)o2)cc1
InChIInChI=1S/C21H17N3O2S/c1-14-4-6-15(7-5-14)20-23-24-21(26-20)16-8-10-17(11-9-16)22-19(25)13-18-3-2-12-27-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyLRZDWJSTQDTGRF-UHFFFAOYSA-N
XLogP4.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide (CID 1026551) is N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnc(-c3ccc(NC(=O)Cc4cccs4)cc3)o2)cc1.
What is the InChIKey of N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is LRZDWJSTQDTGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-4-6-15(7-5-14)20-23-24-21(26-20)16-8-10-17(11-9-16)22-19(25)13-18-3-2-12-27-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 375.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1026551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).