5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide

C20H19BrN4O4 — CID 55775568

IUPAC5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)CCCC2)no1
InChIInChI=1S/C20H19BrN4O4/c1-12-22-19(25-29-12)20(9-2-3-10-20)24-17(26)13-5-4-6-14(11-13)23-18(27)15-7-8-16(21)28-15/h4-8,11H,2-3,9-10H2,1H3,(H,23,27)(H,24,26)
InChIKeySIYGMCSJMUYWMB-UHFFFAOYSA-N
MW459.30 g/mol
LogP4.19
Rot. Bonds5

About 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55775568) has the molecular formula C20H19BrN4O4 and a molecular weight of 459.30 g/mol. Its IUPAC name is 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55775568
Molecular FormulaC20H19BrN4O4
Molecular Weight459.30 g/mol
Exact Mass458.06
IUPAC Name5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)CCCC2)no1
InChIInChI=1S/C20H19BrN4O4/c1-12-22-19(25-29-12)20(9-2-3-10-20)24-17(26)13-5-4-6-14(11-13)23-18(27)15-7-8-16(21)28-15/h4-8,11H,2-3,9-10H2,1H3,(H,23,27)(H,24,26)
InChIKeySIYGMCSJMUYWMB-UHFFFAOYSA-N
XLogP4.19
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate
CID 51112701
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
3-(cyclopropylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 55980465
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55790317
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 55787295
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55520393

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55775568) is 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide is Cc1nc(C2(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)CCCC2)no1.
What is the InChIKey of 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is SIYGMCSJMUYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O4/c1-12-22-19(25-29-12)20(9-2-3-10-20)24-17(26)13-5-4-6-14(11-13)23-18(27)15-7-8-16(21)28-15/h4-8,11H,2-3,9-10H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 459.30 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55775568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).