N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C19H22N4O3S — CID 24791966

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)NCCn2nc(C)cc2C)no1
InChIInChI=1S/C19H22N4O3S/c1-13-10-14(2)23(21-13)9-8-20-19(24)16-11-15(26-22-16)12-25-17-6-4-5-7-18(17)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,24)
InChIKeyNXCKTYJODHXUNG-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.22
Rot. Bonds8

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791966) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791966
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)NCCn2nc(C)cc2C)no1
InChIInChI=1S/C19H22N4O3S/c1-13-10-14(2)23(21-13)9-8-20-19(24)16-11-15(26-22-16)12-25-17-6-4-5-7-18(17)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,24)
InChIKeyNXCKTYJODHXUNG-UHFFFAOYSA-N
XLogP3.22
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42529929
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 26315290
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42595324
5-[(2,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 126460362
N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 95211220
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
5-[(2,6-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 42564641

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 24791966) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is CSc1ccccc1OCc1cc(C(=O)NCCn2nc(C)cc2C)no1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NXCKTYJODHXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-10-14(2)23(21-13)9-8-20-19(24)16-11-15(26-22-16)12-25-17-6-4-5-7-18(17)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).