5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide

C15H12BrN3O3S — CID 53078643

IUPAC5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
SMILESCc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O3S/c1-7-9(17-14(20)10-4-5-12(16)21-10)6-11(23-7)13-18-15(22-19-13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,17,20)
InChIKeyOLIRKRZAXPZCSA-UHFFFAOYSA-N
MW394.25 g/mol
LogP4.59
Rot. Bonds4

About 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide

5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide (PubChem CID 53078643) has the molecular formula C15H12BrN3O3S and a molecular weight of 394.25 g/mol. Its IUPAC name is 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
PubChem CID53078643
Molecular FormulaC15H12BrN3O3S
Molecular Weight394.25 g/mol
Exact Mass392.98
IUPAC Name5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
SMILESCc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O3S/c1-7-9(17-14(20)10-4-5-12(16)21-10)6-11(23-7)13-18-15(22-19-13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,17,20)
InChIKeyOLIRKRZAXPZCSA-UHFFFAOYSA-N
XLogP4.59
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
CID 53078627
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042355
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]pyridine-4-carboxamide
CID 53042375
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(dimethylamino)benzamide
CID 53042315
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078649
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-fluoro-4-methylbenzamide
CID 53042385
3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042334
5-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
CID 53057030
N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide
CID 53042331
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 53078662
(2R)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 93075275
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 53078661

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide (CID 53078643) is 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide is Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide?
The InChIKey is OLIRKRZAXPZCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S/c1-7-9(17-14(20)10-4-5-12(16)21-10)6-11(23-7)13-18-15(22-19-13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,17,20).
What are the key properties of 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide?
5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide has a molecular weight of 394.25 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide is sourced from PubChem (CID 53078643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).