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

C17H17N3O2S — CID 17460464

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C17H17N3O2S/c1-3-14-15(11(2)22-20-14)16(21)19-17-18-10-13(23-17)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,21)
InChIKeyLABLOFINJVUHDF-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.85
Rot. Bonds5

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

N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17460464) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17460464
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C17H17N3O2S/c1-3-14-15(11(2)22-20-14)16(21)19-17-18-10-13(23-17)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,21)
InChIKeyLABLOFINJVUHDF-UHFFFAOYSA-N
XLogP3.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17460464) is N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LABLOFINJVUHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-14-15(11(2)22-20-14)16(21)19-17-18-10-13(23-17)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17460464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).