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

C17H18N4O2S — CID 11631512

IUPAC3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide
SMILESCc1noc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)n1
InChIInChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)
InChIKeyMLURKVCBYPYHPF-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.15
Rot. Bonds5

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

3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide (PubChem CID 11631512) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide
PubChem CID11631512
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide
SMILESCc1noc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)n1
InChIInChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)
InChIKeyMLURKVCBYPYHPF-UHFFFAOYSA-N
XLogP4.15
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-butyramide
CID 11573708
N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]acetamide
CID 11580284
Cyclopropanecarboxylic acid [5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-phenyl-thiazol-2-yl]-amide
CID 11609536
N-[5-(5-Methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-benzamide
CID 11617483
Cyclopropanecarboxylic acid [5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-amide
CID 11638430
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-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]acetamide
CID 11688036
N-benzyl-2-(5-benzyl-1,2,4-oxadiazol-3-yl)-4-methylthiazole-5-carboxamide
CID 59179717
N-{5-[(dimethylamino)carbonyl]-4-methyl-1,3-thiazol-2-yl}-5-methyl-3-phenylisoxazole-4-carboxamide
CID 1225690
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25163854

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide (CID 11631512) is 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide is Cc1noc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide?
The InChIKey is MLURKVCBYPYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22).
What are the key properties of 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide?
3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide has a molecular weight of 342.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 11631512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).