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

C15H15N3O3S — CID 17249905

IUPAC3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C15H15N3O3S/c1-4-10-13(8(2)21-18-10)14(19)17-15-16-11-6-5-9(20-3)7-12(11)22-15/h5-7H,4H2,1-3H3,(H,16,17,19)
InChIKeyMEWNDWRGZMRUPC-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.42
Rot. Bonds4

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

3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17249905) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17249905
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C15H15N3O3S/c1-4-10-13(8(2)21-18-10)14(19)17-15-16-11-6-5-9(20-3)7-12(11)22-15/h5-7H,4H2,1-3H3,(H,16,17,19)
InChIKeyMEWNDWRGZMRUPC-UHFFFAOYSA-N
XLogP3.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxamide
CID 887167
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxamide
CID 1245272
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 679224
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649132
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649211
3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 17417564

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 17249905) is 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MEWNDWRGZMRUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-4-10-13(8(2)21-18-10)14(19)17-15-16-11-6-5-9(20-3)7-12(11)22-15/h5-7H,4H2,1-3H3,(H,16,17,19).
What are the key properties of 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17249905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).