N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide

C16H18N6O2S — CID 16765387

IUPACN-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCCn1c(SCc2ccccc2C)nnc1-c1nonc1NC(C)=O
InChIInChI=1S/C16H18N6O2S/c1-4-22-15(13-14(17-11(3)23)21-24-20-13)18-19-16(22)25-9-12-8-6-5-7-10(12)2/h5-8H,4,9H2,1-3H3,(H,17,21,23)
InChIKeyQZXVYVUFHYTUGV-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.91
Rot. Bonds6

About N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide

N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 16765387) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID16765387
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC NameN-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCCn1c(SCc2ccccc2C)nnc1-c1nonc1NC(C)=O
InChIInChI=1S/C16H18N6O2S/c1-4-22-15(13-14(17-11(3)23)21-24-20-13)18-19-16(22)25-9-12-8-6-5-7-10(12)2/h5-8H,4,9H2,1-3H3,(H,17,21,23)
InChIKeyQZXVYVUFHYTUGV-UHFFFAOYSA-N
XLogP2.91
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16765433
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 23610323
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 23610357
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 16765397
N-[3-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenyl]acetamide
CID 8708254
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 16765416
N-[4-[5-(3-cyanopropylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 46263135
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 16765456
N-[5-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
CID 9381597
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 9489055
2-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 92645314
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 23610349

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide (CID 16765387) is N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide is CCn1c(SCc2ccccc2C)nnc1-c1nonc1NC(C)=O.
What is the InChIKey of N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is QZXVYVUFHYTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-4-22-15(13-14(17-11(3)23)21-24-20-13)18-19-16(22)25-9-12-8-6-5-7-10(12)2/h5-8H,4,9H2,1-3H3,(H,17,21,23).
What are the key properties of N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 358.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 16765387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).