2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H18N6O4S — CID 22584956

IUPAC2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cnc(CSc2nncn2C)cc1OCC(=O)Nc1cc(C)on1
InChIInChI=1S/C16H18N6O4S/c1-10-4-14(21-26-10)19-15(23)7-25-12-5-11(17-6-13(12)24-3)8-27-16-20-18-9-22(16)2/h4-6,9H,7-8H2,1-3H3,(H,19,21,23)
InChIKeyBIPNWAUNHBYTLQ-UHFFFAOYSA-N
MW390.43 g/mol
LogP1.82
Rot. Bonds8

About 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 22584956) has the molecular formula C16H18N6O4S and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID22584956
Molecular FormulaC16H18N6O4S
Molecular Weight390.43 g/mol
Exact Mass390.11
IUPAC Name2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cnc(CSc2nncn2C)cc1OCC(=O)Nc1cc(C)on1
InChIInChI=1S/C16H18N6O4S/c1-10-4-14(21-26-10)19-15(23)7-25-12-5-11(17-6-13(12)24-3)8-27-16-20-18-9-22(16)2/h4-6,9H,7-8H2,1-3H3,(H,19,21,23)
InChIKeyBIPNWAUNHBYTLQ-UHFFFAOYSA-N
XLogP1.82
TPSA117.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2621595
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(4-methoxyphenyl)acetamide
CID 22584972
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 22585081
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8987962
N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 46362577
N-(3,4-dimethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22585004
3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51223192
N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 705246
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2385810
N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584978
N-(2,4-difluorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585127

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 22584956) is 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cnc(CSc2nncn2C)cc1OCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BIPNWAUNHBYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O4S/c1-10-4-14(21-26-10)19-15(23)7-25-12-5-11(17-6-13(12)24-3)8-27-16-20-18-9-22(16)2/h4-6,9H,7-8H2,1-3H3,(H,19,21,23).
What are the key properties of 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 390.43 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 22584956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).