N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide

C16H11N3O2S — CID 16616263

IUPACN-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)on1
InChIInChI=1S/C16H11N3O2S/c1-9-8-12(21-19-9)15(20)18-16-17-14-11-5-3-2-4-10(11)6-7-13(14)22-16/h2-8H,1H3,(H,17,18,20)
InChIKeyQERARGDYTNZEPM-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.00
Rot. Bonds2

About N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide

N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 16616263) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID16616263
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)on1
InChIInChI=1S/C16H11N3O2S/c1-9-8-12(21-19-9)15(20)18-16-17-14-11-5-3-2-4-10(11)6-7-13(14)22-16/h2-8H,1H3,(H,17,18,20)
InChIKeyQERARGDYTNZEPM-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 17444658
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879750
N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide
CID 75403675
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-benzo[e][1,3]benzothiazol-2-yl-4-(methylsulfonylmethyl)benzamide
CID 8781134
N-benzo[e][1,3]benzothiazol-2-yl-5-methyl-4-nitrothiophene-2-carboxamide
CID 39299357
N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
CID 27185560
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879597
N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
CID 41028546

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide (CID 16616263) is N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)on1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QERARGDYTNZEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-9-8-12(21-19-9)15(20)18-16-17-14-11-5-3-2-4-10(11)6-7-13(14)22-16/h2-8H,1H3,(H,17,18,20).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide?
N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16616263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).