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

C19H20N4O3S — CID 36557890

IUPAC2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C19H20N4O3S/c1-12(2)19(25)21-14-7-5-13(6-8-14)20-16(24)9-10-17-22-18(23-26-17)15-4-3-11-27-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIKXWMDDUYTUUMH-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.96
Rot. Bonds7

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

2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide (PubChem CID 36557890) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
PubChem CID36557890
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C19H20N4O3S/c1-12(2)19(25)21-14-7-5-13(6-8-14)20-16(24)9-10-17-22-18(23-26-17)15-4-3-11-27-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIKXWMDDUYTUUMH-UHFFFAOYSA-N
XLogP3.96
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
N-(4-methylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089801
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N,4-dimethyl-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanamide
CID 55751216
N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39995844
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 52713219
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
N-(4-piperidin-1-ylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide (CID 36557890) is 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide?
The InChIKey is IKXWMDDUYTUUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12(2)19(25)21-14-7-5-13(6-8-14)20-16(24)9-10-17-22-18(23-26-17)15-4-3-11-27-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide?
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide has a molecular weight of 384.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide is sourced from PubChem (CID 36557890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).