4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide

C18H21N5O3 — CID 31974397

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)NCc3ccnn3C)n2)cc1
InChIInChI=1S/C18H21N5O3/c1-23-14(10-11-20-23)12-19-16(24)4-3-5-17-21-18(22-26-17)13-6-8-15(25-2)9-7-13/h6-11H,3-5,12H2,1-2H3,(H,19,24)
InChIKeyWFTRIZDXXYBZGQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.12
Rot. Bonds8

About 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 31974397) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide
PubChem CID31974397
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)NCc3ccnn3C)n2)cc1
InChIInChI=1S/C18H21N5O3/c1-23-14(10-11-20-23)12-19-16(24)4-3-5-17-21-18(22-26-17)13-6-8-15(25-2)9-7-13/h6-11H,3-5,12H2,1-2H3,(H,19,24)
InChIKeyWFTRIZDXXYBZGQ-UHFFFAOYSA-N
XLogP2.12
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
CID 55650045
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 47889008
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 96559554
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 667378
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-2-pyridinyl)butanamide
CID 55650824
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51132390
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide (CID 31974397) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide is COc1ccc(-c2noc(CCCC(=O)NCc3ccnn3C)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is WFTRIZDXXYBZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-23-14(10-11-20-23)12-19-16(24)4-3-5-17-21-18(22-26-17)13-6-8-15(25-2)9-7-13/h6-11H,3-5,12H2,1-2H3,(H,19,24).
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 355.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 31974397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).