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

C14H12BrN3O3S — CID 53078627

IUPAC5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccc(Br)o3)c(C)s2)no1
InChIInChI=1S/C14H12BrN3O3S/c1-3-12-17-13(18-21-12)10-6-8(7(2)22-10)16-14(19)9-4-5-11(15)20-9/h4-6H,3H2,1-2H3,(H,16,19)
InChIKeyIONQXHOWASQJKN-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.28
Rot. Bonds4

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

5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide (PubChem CID 53078627) has the molecular formula C14H12BrN3O3S and a molecular weight of 382.24 g/mol. Its IUPAC name is 5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
PubChem CID53078627
Molecular FormulaC14H12BrN3O3S
Molecular Weight382.24 g/mol
Exact Mass380.98
IUPAC Name5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccc(Br)o3)c(C)s2)no1
InChIInChI=1S/C14H12BrN3O3S/c1-3-12-17-13(18-21-12)10-6-8(7(2)22-10)16-14(19)9-4-5-11(15)20-9/h4-6H,3H2,1-2H3,(H,16,19)
InChIKeyIONQXHOWASQJKN-UHFFFAOYSA-N
XLogP4.28
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
CID 53042299
5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
CID 53078643
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078633
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 53042261
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]thiophene-2-carboxamide
CID 53093367
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53078613
N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 53078605
N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041567
3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53042243

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide (CID 53078627) is 5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide is CCc1nc(-c2cc(NC(=O)c3ccc(Br)o3)c(C)s2)no1.
What is the InChIKey of 5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide?
The InChIKey is IONQXHOWASQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S/c1-3-12-17-13(18-21-12)10-6-8(7(2)22-10)16-14(19)9-4-5-11(15)20-9/h4-6H,3H2,1-2H3,(H,16,19).
What are the key properties of 5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide?
5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide has a molecular weight of 382.24 g/mol, XLogP of 4.28, 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-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide is sourced from PubChem (CID 53078627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).