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

C21H18N4O2S — CID 46869146

IUPACN-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide
SMILESCc1noc(-c2c(C)csc2NC(=O)Cc2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C21H18N4O2S/c1-13-12-28-21(19(13)20-23-14(2)25-27-20)24-18(26)11-15-3-5-16(6-4-15)17-7-9-22-10-8-17/h3-10,12H,11H2,1-2H3,(H,24,26)
InChIKeyKAKWVQRFLWKQRX-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.66
Rot. Bonds5

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

N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 46869146) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide
PubChem CID46869146
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide
SMILESCc1noc(-c2c(C)csc2NC(=O)Cc2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C21H18N4O2S/c1-13-12-28-21(19(13)20-23-14(2)25-27-20)24-18(26)11-15-3-5-16(6-4-15)17-7-9-22-10-8-17/h3-10,12H,11H2,1-2H3,(H,24,26)
InChIKeyKAKWVQRFLWKQRX-UHFFFAOYSA-N
XLogP4.66
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide (CID 46869146) is N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide is Cc1noc(-c2c(C)csc2NC(=O)Cc2ccc(-c3ccncc3)cc2)n1.
What is the InChIKey of N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is KAKWVQRFLWKQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-12-28-21(19(13)20-23-14(2)25-27-20)24-18(26)11-15-3-5-16(6-4-15)17-7-9-22-10-8-17/h3-10,12H,11H2,1-2H3,(H,24,26).
What are the key properties of N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide?
N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 46869146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).