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

C14H11N3O2S — CID 69287385

IUPAC4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide
SMILESCc1nc(-c2ncco2)sc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H11N3O2S/c1-8-11(9-2-4-10(5-3-9)12(15)18)20-14(17-8)13-16-6-7-19-13/h2-7H,1H3,(H2,15,18)
InChIKeyJUXZYYYAMHZQHT-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.87
Rot. Bonds3

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

4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide (PubChem CID 69287385) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide
PubChem CID69287385
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide
SMILESCc1nc(-c2ncco2)sc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H11N3O2S/c1-8-11(9-2-4-10(5-3-9)12(15)18)20-14(17-8)13-16-6-7-19-13/h2-7H,1H3,(H2,15,18)
InChIKeyJUXZYYYAMHZQHT-UHFFFAOYSA-N
XLogP2.87
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide (CID 69287385) is 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide is Cc1nc(-c2ncco2)sc1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide?
The InChIKey is JUXZYYYAMHZQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-8-11(9-2-4-10(5-3-9)12(15)18)20-14(17-8)13-16-6-7-19-13/h2-7H,1H3,(H2,15,18).
What are the key properties of 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide?
4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide has a molecular weight of 285.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 69287385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).