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

C16H17N5O4 — CID 96559554

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)Nc3nc(C)no3)n2)cc1
InChIInChI=1S/C16H17N5O4/c1-10-17-16(25-20-10)18-13(22)4-3-5-14-19-15(21-24-14)11-6-8-12(23-2)9-7-11/h6-9H,3-5H2,1-2H3,(H,17,18,20,22)
InChIKeyXDZQEVDJJBBAEM-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.40
Rot. Bonds7

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

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 96559554) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID96559554
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)Nc3nc(C)no3)n2)cc1
InChIInChI=1S/C16H17N5O4/c1-10-17-16(25-20-10)18-13(22)4-3-5-14-19-15(21-24-14)11-6-8-12(23-2)9-7-11/h6-9H,3-5H2,1-2H3,(H,17,18,20,22)
InChIKeyXDZQEVDJJBBAEM-UHFFFAOYSA-N
XLogP2.40
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 23613878
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-2-pyridinyl)butanamide
CID 55650824
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)butanamide
CID 46263765
N-[3-[(dimethylamino)methyl]phenyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 33129189
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylhexan-2-yl)propanamide
CID 18134897

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 96559554) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is COc1ccc(-c2noc(CCCC(=O)Nc3nc(C)no3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is XDZQEVDJJBBAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-10-17-16(25-20-10)18-13(22)4-3-5-14-19-15(21-24-14)11-6-8-12(23-2)9-7-11/h6-9H,3-5H2,1-2H3,(H,17,18,20,22).
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 343.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 96559554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).