N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C21H18N4O2S — CID 59179717

IUPACN-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2noc(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H18N4O2S/c1-14-18(20(26)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(27-25-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyLHQOEJHESJBERR-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.02
Rot. Bonds6

About N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59179717) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID59179717
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2noc(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H18N4O2S/c1-14-18(20(26)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(27-25-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyLHQOEJHESJBERR-UHFFFAOYSA-N
XLogP4.02
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]acetamide
CID 11580284
N-[5-(5-Methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-benzamide
CID 11617483
3-Methyl-n-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-butyramide
CID 11631512
N-[5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-benzamide
CID 11639132
N-[5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-2-phenyl-acetamide
CID 11667955
N-[5-(5-Methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-2-phenyl-acetamide
CID 11667956
N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 25094597
(R)-N-benzyl-2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 25094874
4-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 17517657
3-{[1-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-YL]methyl}-5-phenyl-1,2,4-oxadiazole
CID 91905845
(2,4-dimethyl-1,3-thiazol-5-yl)[(R)-3-{[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidyl]methanone
CID 100064999
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 59179717) is N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2noc(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LHQOEJHESJBERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14-18(20(26)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(27-25-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,26).
What are the key properties of N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59179717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).