2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

C15H17N5O2S — CID 108733119

IUPAC2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCSc1n[nH]c(NC(=O)Cc2noc3cc(C)c(C)cc23)n1
InChIInChI=1S/C15H17N5O2S/c1-4-23-15-17-14(18-19-15)16-13(21)7-11-10-5-8(2)9(3)6-12(10)22-20-11/h5-6H,4,7H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyKVRLMPCEHOVYLS-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.86
Rot. Bonds5

About 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 108733119) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID108733119
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCSc1n[nH]c(NC(=O)Cc2noc3cc(C)c(C)cc23)n1
InChIInChI=1S/C15H17N5O2S/c1-4-23-15-17-14(18-19-15)16-13(21)7-11-10-5-8(2)9(3)6-12(10)22-20-11/h5-6H,4,7H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyKVRLMPCEHOVYLS-UHFFFAOYSA-N
XLogP2.86
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide with MolForge

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 108804393
2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 108733092
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108804264
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108804388
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
N-cyclopentyl-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108791964
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108740199
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 108804317
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108792103

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (CID 108733119) is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is CCSc1n[nH]c(NC(=O)Cc2noc3cc(C)c(C)cc23)n1.
What is the InChIKey of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is KVRLMPCEHOVYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-4-23-15-17-14(18-19-15)16-13(21)7-11-10-5-8(2)9(3)6-12(10)22-20-11/h5-6H,4,7H2,1-3H3,(H2,16,17,18,19,21).
What are the key properties of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 108733119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).