N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide

C22H19N3O2S — CID 73167772

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide
SMILESCc1noc(-c2sccc2NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H19N3O2S/c1-15-23-22(27-25-15)21-19(12-13-28-21)24-20(26)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3,(H,24,26)
InChIKeySIJCSWOYJJEEOO-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.27
Rot. Bonds6

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide (PubChem CID 73167772) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide
PubChem CID73167772
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide
SMILESCc1noc(-c2sccc2NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H19N3O2S/c1-15-23-22(27-25-15)21-19(12-13-28-21)24-20(26)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3,(H,24,26)
InChIKeySIJCSWOYJJEEOO-UHFFFAOYSA-N
XLogP5.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide (CID 73167772) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide is Cc1noc(-c2sccc2NC(=O)CC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide?
The InChIKey is SIJCSWOYJJEEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-23-22(27-25-15)21-19(12-13-28-21)24-20(26)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3,(H,24,26).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide has a molecular weight of 389.48 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 73167772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).