N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

C17H12N4O3S — CID 90502771

IUPACN-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc2nsnc12)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C17H12N4O3S/c22-16(18-10-3-1-4-11-15(10)21-25-20-11)17(6-7-17)14-9-13(24-19-14)12-5-2-8-23-12/h1-5,8-9H,6-7H2,(H,18,22)
InChIKeyPDOXYJIXYHTQOF-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.61
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90502771) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
PubChem CID90502771
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc2nsnc12)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C17H12N4O3S/c22-16(18-10-3-1-4-11-15(10)21-25-20-11)17(6-7-17)14-9-13(24-19-14)12-5-2-8-23-12/h1-5,8-9H,6-7H2,(H,18,22)
InChIKeyPDOXYJIXYHTQOF-UHFFFAOYSA-N
XLogP3.61
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502927
N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502897
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502967
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 90503022
methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate
CID 90503043
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-octylcyclopropane-1-carboxamide
CID 90502974
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90503923
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)furan-2-carboxamide
CID 739009
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504519
N-(2,1,3-benzothiadiazol-4-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2969024
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 90502766
N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503508

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90502771) is N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1cccc2nsnc12)C1(c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is PDOXYJIXYHTQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c22-16(18-10-3-1-4-11-15(10)21-25-20-11)17(6-7-17)14-9-13(24-19-14)12-5-2-8-23-12/h1-5,8-9H,6-7H2,(H,18,22).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90502771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).