N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C18H15N3O3S — CID 60524951

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCOc1cccc2sc(NC(=O)C3=NOC(c4ccccc4)C3)nc12
InChIInChI=1S/C18H15N3O3S/c1-23-13-8-5-9-15-16(13)19-18(25-15)20-17(22)12-10-14(24-21-12)11-6-3-2-4-7-11/h2-9,14H,10H2,1H3,(H,19,20,22)
InChIKeyIXNPFMFMTFYXAA-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.76
Rot. Bonds4

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

N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 60524951) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID60524951
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCOc1cccc2sc(NC(=O)C3=NOC(c4ccccc4)C3)nc12
InChIInChI=1S/C18H15N3O3S/c1-23-13-8-5-9-15-16(13)19-18(25-15)20-17(22)12-10-14(24-21-12)11-6-3-2-4-7-11/h2-9,14H,10H2,1H3,(H,19,20,22)
InChIKeyIXNPFMFMTFYXAA-UHFFFAOYSA-N
XLogP3.76
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromo-4,5-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 71886872
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 17444658
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 2799186
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 60524951) is N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is COc1cccc2sc(NC(=O)C3=NOC(c4ccccc4)C3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is IXNPFMFMTFYXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-23-13-8-5-9-15-16(13)19-18(25-15)20-17(22)12-10-14(24-21-12)11-6-3-2-4-7-11/h2-9,14H,10H2,1H3,(H,19,20,22).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60524951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).