5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

C14H11N3O2S — CID 2497379

IUPAC5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1nccs1
InChIInChI=1S/C14H11N3O2S/c1-9-11(12(18)17-14-15-7-8-20-14)16-13(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17,18)
InChIKeyLABOTDLEMVNZHH-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.36
Rot. Bonds3

About 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 2497379) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID2497379
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1nccs1
InChIInChI=1S/C14H11N3O2S/c1-9-11(12(18)17-14-15-7-8-20-14)16-13(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17,18)
InChIKeyLABOTDLEMVNZHH-UHFFFAOYSA-N
XLogP3.36
TPSA68.02 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (CID 2497379) is 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)Nc1nccs1.
What is the InChIKey of 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is LABOTDLEMVNZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-11(12(18)17-14-15-7-8-20-14)16-13(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17,18).
What are the key properties of 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).