3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C18H19N3O3S — CID 30873457

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)n1
InChIInChI=1S/C18H19N3O3S/c1-11-10-25-17(20-11)8-19-18(22)14-5-4-6-15(7-14)23-9-16-12(2)21-24-13(16)3/h4-7,10H,8-9H2,1-3H3,(H,19,22)
InChIKeyGBUZMLLCAVKKKM-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.57
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 30873457) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID30873457
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)n1
InChIInChI=1S/C18H19N3O3S/c1-11-10-25-17(20-11)8-19-18(22)14-5-4-6-15(7-14)23-9-16-12(2)21-24-13(16)3/h4-7,10H,8-9H2,1-3H3,(H,19,22)
InChIKeyGBUZMLLCAVKKKM-UHFFFAOYSA-N
XLogP3.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
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N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 30873457) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)n1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is GBUZMLLCAVKKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-10-25-17(20-11)8-19-18(22)14-5-4-6-15(7-14)23-9-16-12(2)21-24-13(16)3/h4-7,10H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 357.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 30873457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).