N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H18N4O3S — CID 55787626

IUPACN-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cn2)cc1
InChIInChI=1S/C21H18N4O3S/c1-14-2-5-17(6-3-14)27-19-8-4-16(12-22-19)23-18(26)7-9-20-24-21(25-28-20)15-10-11-29-13-15/h2-6,8,10-13H,7,9H2,1H3,(H,23,26)
InChIKeyRGJYSHUXKSCJHN-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.87
Rot. Bonds7

About N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55787626) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55787626
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cn2)cc1
InChIInChI=1S/C21H18N4O3S/c1-14-2-5-17(6-3-14)27-19-8-4-16(12-22-19)23-18(26)7-9-20-24-21(25-28-20)15-10-11-29-13-15/h2-6,8,10-13H,7,9H2,1H3,(H,23,26)
InChIKeyRGJYSHUXKSCJHN-UHFFFAOYSA-N
XLogP4.87
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 26688697
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide
CID 96528492
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 40711973
N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17450335
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9085549
2-methyl-3-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanoic acid
CID 120540956
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9087195
N-(4-pyrrolidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17485381
N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55892217

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55787626) is N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cn2)cc1.
What is the InChIKey of N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is RGJYSHUXKSCJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-2-5-17(6-3-14)27-19-8-4-16(12-22-19)23-18(26)7-9-20-24-21(25-28-20)15-10-11-29-13-15/h2-6,8,10-13H,7,9H2,1H3,(H,23,26).
What are the key properties of N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 406.47 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55787626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).