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

C20H17N3O3S — CID 17011314

IUPAC5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)sc2c1
InChIInChI=1S/C20H17N3O3S/c1-11-4-5-13(8-12(11)2)17-10-16(23-26-17)19(24)22-20-21-15-7-6-14(25-3)9-18(15)27-20/h4-10H,1-3H3,(H,21,22,24)
InChIKeyOROAMXINTIXLNN-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.83
Rot. Bonds4

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

5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 17011314) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID17011314
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)sc2c1
InChIInChI=1S/C20H17N3O3S/c1-11-4-5-13(8-12(11)2)17-10-16(23-26-17)19(24)22-20-21-15-7-6-14(25-3)9-18(15)27-20/h4-10H,1-3H3,(H,21,22,24)
InChIKeyOROAMXINTIXLNN-UHFFFAOYSA-N
XLogP4.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879597
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
5-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17013473
5-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-4-carboxamide
CID 112759271
2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 39046251
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702338
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36662741
N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011912
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691334

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 17011314) is 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide is COc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)sc2c1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OROAMXINTIXLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-11-4-5-13(8-12(11)2)17-10-16(23-26-17)19(24)22-20-21-15-7-6-14(25-3)9-18(15)27-20/h4-10H,1-3H3,(H,21,22,24).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17011314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).