N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C14H11F2N3O2S — CID 25161640

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C14H11F2N3O2S/c1-3-9-11(6(2)21-19-9)13(20)18-14-17-12-8(16)4-7(15)5-10(12)22-14/h4-5H,3H2,1-2H3,(H,17,18,20)
InChIKeyXSOIGSZNVVIBSF-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.69
Rot. Bonds3

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25161640) has the molecular formula C14H11F2N3O2S and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID25161640
Molecular FormulaC14H11F2N3O2S
Molecular Weight323.32 g/mol
Exact Mass323.05
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C14H11F2N3O2S/c1-3-9-11(6(2)21-19-9)13(20)18-14-17-12-8(16)4-7(15)5-10(12)22-14/h4-5H,3H2,1-2H3,(H,17,18,20)
InChIKeyXSOIGSZNVVIBSF-UHFFFAOYSA-N
XLogP3.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 25161640) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XSOIGSZNVVIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S/c1-3-9-11(6(2)21-19-9)13(20)18-14-17-12-8(16)4-7(15)5-10(12)22-14/h4-5H,3H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25161640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).