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

C15H15N3O4S2 — CID 8005554

IUPAC3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C15H15N3O4S2/c1-4-10-13(8(2)22-18-10)14(19)17-15-16-11-6-5-9(24(3,20)21)7-12(11)23-15/h5-7H,4H2,1-3H3,(H,16,17,19)
InChIKeyMCXHIKZANVCHJO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.81
Rot. Bonds4

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

3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 8005554) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID8005554
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC Name3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C15H15N3O4S2/c1-4-10-13(8(2)22-18-10)14(19)17-15-16-11-6-5-9(24(3,20)21)7-12(11)23-15/h5-7H,4H2,1-3H3,(H,16,17,19)
InChIKeyMCXHIKZANVCHJO-UHFFFAOYSA-N
XLogP2.81
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 8005554) is 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is MCXHIKZANVCHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-4-10-13(8(2)22-18-10)14(19)17-15-16-11-6-5-9(24(3,20)21)7-12(11)23-15/h5-7H,4H2,1-3H3,(H,16,17,19).
What are the key properties of 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8005554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).