2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide

C16H16N4O3S — CID 39998932

IUPAC2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C16H16N4O3S/c1-22-10-14(21)18-12-5-2-4-11(8-12)17-9-15-19-16(20-23-15)13-6-3-7-24-13/h2-8,17H,9-10H2,1H3,(H,18,21)
InChIKeyFDLXTNQYLFUJFU-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.00
Rot. Bonds7

About 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide

2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide (PubChem CID 39998932) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
PubChem CID39998932
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C16H16N4O3S/c1-22-10-14(21)18-12-5-2-4-11(8-12)17-9-15-19-16(20-23-15)13-6-3-7-24-13/h2-8,17H,9-10H2,1H3,(H,18,21)
InChIKeyFDLXTNQYLFUJFU-UHFFFAOYSA-N
XLogP3.00
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 17452778
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55686757
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide
CID 60536221
2-hydroxy-N-[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]acetamide
CID 111110044
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43022493
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201
2-(3,4-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 92801393
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethoxy)aniline
CID 31418029
7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one
CID 99817916

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide (CID 39998932) is 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide is COCC(=O)Nc1cccc(NCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The InChIKey is FDLXTNQYLFUJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-22-10-14(21)18-12-5-2-4-11(8-12)17-9-15-19-16(20-23-15)13-6-3-7-24-13/h2-8,17H,9-10H2,1H3,(H,18,21).
What are the key properties of 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide has a molecular weight of 344.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 39998932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).