N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C23H22N4O4S — CID 55800668

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCCc3nc(-c4cccs4)no3)cn2)c1
InChIInChI=1S/C23H22N4O4S/c1-29-17-5-2-6-18(13-17)30-21-11-10-16(15-25-21)14-24-20(28)8-3-9-22-26-23(27-31-22)19-7-4-12-32-19/h2,4-7,10-13,15H,3,8-9,14H2,1H3,(H,24,28)
InChIKeyVOEXZCKCJUYGAM-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.63
Rot. Bonds10

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55800668) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55800668
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCCc3nc(-c4cccs4)no3)cn2)c1
InChIInChI=1S/C23H22N4O4S/c1-29-17-5-2-6-18(13-17)30-21-11-10-16(15-25-21)14-24-20(28)8-3-9-22-26-23(27-31-22)19-7-4-12-32-19/h2,4-7,10-13,15H,3,8-9,14H2,1H3,(H,24,28)
InChIKeyVOEXZCKCJUYGAM-UHFFFAOYSA-N
XLogP4.63
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453947
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38885147
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55745979
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55686757
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 55857997
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 55800950
N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35363903
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55858632
N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55800755

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55800668) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is COc1cccc(Oc2ccc(CNC(=O)CCCc3nc(-c4cccs4)no3)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is VOEXZCKCJUYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-29-17-5-2-6-18(13-17)30-21-11-10-16(15-25-21)14-24-20(28)8-3-9-22-26-23(27-31-22)19-7-4-12-32-19/h2,4-7,10-13,15H,3,8-9,14H2,1H3,(H,24,28).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 450.52 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55800668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).