N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide

C23H22N4O3S — CID 71296571

IUPACN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCOc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4)no3)n2)cc1
InChIInChI=1S/C23H22N4O3S/c1-2-29-18-13-11-16(12-14-18)19-15-31-23(24-19)25-20(28)9-6-10-21-26-22(27-30-21)17-7-4-3-5-8-17/h3-5,7-8,11-15H,2,6,9-10H2,1H3,(H,24,25,28)
InChIKeyXQMXRCLPBIEUFC-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.22
Rot. Bonds9

About N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 71296571) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID71296571
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCOc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4)no3)n2)cc1
InChIInChI=1S/C23H22N4O3S/c1-2-29-18-13-11-16(12-14-18)19-15-31-23(24-19)25-20(28)9-6-10-21-26-22(27-30-21)17-7-4-3-5-8-17/h3-5,7-8,11-15H,2,6,9-10H2,1H3,(H,24,25,28)
InChIKeyXQMXRCLPBIEUFC-UHFFFAOYSA-N
XLogP5.22
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 23613878
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55649839
methyl 4-[2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55651520
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
CID 17101451
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26051072
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 17354606
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521249
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198211
5-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 50838837
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide (CID 71296571) is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide is CCOc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4)no3)n2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is XQMXRCLPBIEUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-2-29-18-13-11-16(12-14-18)19-15-31-23(24-19)25-20(28)9-6-10-21-26-22(27-30-21)17-7-4-3-5-8-17/h3-5,7-8,11-15H,2,6,9-10H2,1H3,(H,24,25,28).
What are the key properties of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 434.52 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 71296571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).