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

C19H22N4O2S — CID 110307350

IUPACN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nnc(C(CC(C)C)NC(=O)Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C19H22N4O2S/c1-12(2)9-16(18-23-22-13(3)25-18)21-17(24)10-15-11-26-19(20-15)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,21,24)
InChIKeyZFHFPDUCZPOQPZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.95
Rot. Bonds7

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

N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 110307350) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID110307350
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nnc(C(CC(C)C)NC(=O)Cc2csc(-c3ccccc3)n2)o1
InChIInChI=1S/C19H22N4O2S/c1-12(2)9-16(18-23-22-13(3)25-18)21-17(24)10-15-11-26-19(20-15)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,21,24)
InChIKeyZFHFPDUCZPOQPZ-UHFFFAOYSA-N
XLogP3.95
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24600790
(2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 29131429
methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
CID 7833140
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 112772130
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8850656
(2S)-2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid;methanethiol
CID 142371292
2-(2-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119585465
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 110307350) is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1nnc(C(CC(C)C)NC(=O)Cc2csc(-c3ccccc3)n2)o1.
What is the InChIKey of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZFHFPDUCZPOQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(2)9-16(18-23-22-13(3)25-18)21-17(24)10-15-11-26-19(20-15)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110307350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).