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

C18H23N3O4 — CID 128994619

IUPACN-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
SMILESCOc1ccc(Cc2noc(C(NC(C)=O)C3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N3O4/c1-12(22)19-17(14-7-9-24-10-8-14)18-20-16(21-25-18)11-13-3-5-15(23-2)6-4-13/h3-6,14,17H,7-11H2,1-2H3,(H,19,22)
InChIKeyZUUPYEDUJVPTGL-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.27
Rot. Bonds6

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

N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide (PubChem CID 128994619) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
PubChem CID128994619
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
SMILESCOc1ccc(Cc2noc(C(NC(C)=O)C3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N3O4/c1-12(22)19-17(14-7-9-24-10-8-14)18-20-16(21-25-18)11-13-3-5-15(23-2)6-4-13/h3-6,14,17H,7-11H2,1-2H3,(H,19,22)
InChIKeyZUUPYEDUJVPTGL-UHFFFAOYSA-N
XLogP2.27
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 129341672
N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 129337758
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 128994627
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
2-(6-methyl-3-pyridinyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 129473159
3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129326912
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109190
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 61375320
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62852253
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63345344

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide (CID 128994619) is N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The canonical SMILES for N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide is COc1ccc(Cc2noc(C(NC(C)=O)C3CCOCC3)n2)cc1.
What is the InChIKey of N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
The InChIKey is ZUUPYEDUJVPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(22)19-17(14-7-9-24-10-8-14)18-20-16(21-25-18)11-13-3-5-15(23-2)6-4-13/h3-6,14,17H,7-11H2,1-2H3,(H,19,22).
What are the key properties of N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide?
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide is sourced from PubChem (CID 128994619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).