N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C19H19N3O3S — CID 24791868

IUPACN-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)NCc2cccc(C)n2)no1
InChIInChI=1S/C19H19N3O3S/c1-13-6-5-7-14(21-13)11-20-19(23)16-10-15(25-22-16)12-24-17-8-3-4-9-18(17)26-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQJHQJRUTLSWCDT-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.61
Rot. Bonds7

About N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791868) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791868
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)NCc2cccc(C)n2)no1
InChIInChI=1S/C19H19N3O3S/c1-13-6-5-7-14(21-13)11-20-19(23)16-10-15(25-22-16)12-24-17-8-3-4-9-18(17)26-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQJHQJRUTLSWCDT-UHFFFAOYSA-N
XLogP3.61
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 24791868) is N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is CSc1ccccc1OCc1cc(C(=O)NCc2cccc(C)n2)no1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QJHQJRUTLSWCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-6-5-7-14(21-13)11-20-19(23)16-10-15(25-22-16)12-24-17-8-3-4-9-18(17)26-2/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).