N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

C16H15N3O2S — CID 53162110

IUPACN-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)NCc2ccccc2)o1
InChIInChI=1S/C16H15N3O2S/c1-11-7-8-22-15(11)16-19-18-14(21-16)9-13(20)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyUYWYNNXYCOTTRC-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.97
Rot. Bonds5

About N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 53162110) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID53162110
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)NCc2ccccc2)o1
InChIInChI=1S/C16H15N3O2S/c1-11-7-8-22-15(11)16-19-18-14(21-16)9-13(20)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyUYWYNNXYCOTTRC-UHFFFAOYSA-N
XLogP2.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 53162110) is N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccsc1-c1nnc(CC(=O)NCc2ccccc2)o1.
What is the InChIKey of N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is UYWYNNXYCOTTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-7-8-22-15(11)16-19-18-14(21-16)9-13(20)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 53162110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).