3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide

C23H23N5O3S — CID 59736035

IUPAC3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide
SMILESCc1cc(CCc2cc(OCCc3scnc3C)cc(C(=O)Nc3cnccn3)c2)no1
InChIInChI=1S/C23H23N5O3S/c1-15-9-19(28-31-15)4-3-17-10-18(23(29)27-22-13-24-6-7-25-22)12-20(11-17)30-8-5-21-16(2)26-14-32-21/h6-7,9-14H,3-5,8H2,1-2H3,(H,25,27,29)
InChIKeyVYXKMLBIQGBFCS-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.20
Rot. Bonds9

About 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide

3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide (PubChem CID 59736035) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide
PubChem CID59736035
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide
SMILESCc1cc(CCc2cc(OCCc3scnc3C)cc(C(=O)Nc3cnccn3)c2)no1
InChIInChI=1S/C23H23N5O3S/c1-15-9-19(28-31-15)4-3-17-10-18(23(29)27-22-13-24-6-7-25-22)12-20(11-17)30-8-5-21-16(2)26-14-32-21/h6-7,9-14H,3-5,8H2,1-2H3,(H,25,27,29)
InChIKeyVYXKMLBIQGBFCS-UHFFFAOYSA-N
XLogP4.20
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide (CID 59736035) is 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide is Cc1cc(CCc2cc(OCCc3scnc3C)cc(C(=O)Nc3cnccn3)c2)no1.
What is the InChIKey of 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide?
The InChIKey is VYXKMLBIQGBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-9-19(28-31-15)4-3-17-10-18(23(29)27-22-13-24-6-7-25-22)12-20(11-17)30-8-5-21-16(2)26-14-32-21/h6-7,9-14H,3-5,8H2,1-2H3,(H,25,27,29).
What are the key properties of 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide?
3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide has a molecular weight of 449.54 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 59736035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).