N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide

C21H22BrN3O3 — CID 83279040

IUPACN-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide
SMILESO=C(c1ccco1)N(CCc1nc(-c2ccc(Br)cc2)no1)C1CCCCC1
InChIInChI=1S/C21H22BrN3O3/c22-16-10-8-15(9-11-16)20-23-19(28-24-20)12-13-25(17-5-2-1-3-6-17)21(26)18-7-4-14-27-18/h4,7-11,14,17H,1-3,5-6,12-13H2
InChIKeyCTVFMQRTCPFSJE-UHFFFAOYSA-N
MW444.33 g/mol
LogP5.11
Rot. Bonds6

About N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide

N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide (PubChem CID 83279040) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide
PubChem CID83279040
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC NameN-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide
SMILESO=C(c1ccco1)N(CCc1nc(-c2ccc(Br)cc2)no1)C1CCCCC1
InChIInChI=1S/C21H22BrN3O3/c22-16-10-8-15(9-11-16)20-23-19(28-24-20)12-13-25(17-5-2-1-3-6-17)21(26)18-7-4-14-27-18/h4,7-11,14,17H,1-3,5-6,12-13H2
InChIKeyCTVFMQRTCPFSJE-UHFFFAOYSA-N
XLogP5.11
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butylfuran-2-carboxamide
CID 83273296
N-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83285265
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 83289864
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 83283215
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide
CID 83289884
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 83272653
N-cyclohexyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83285428
N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 83289080
N,N-dibenzyl-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100759699
N-cyclohexyl-3-fluoro-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290146
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83289198

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide?
The IUPAC name of N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide (CID 83279040) is N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide?
The canonical SMILES for N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide is O=C(c1ccco1)N(CCc1nc(-c2ccc(Br)cc2)no1)C1CCCCC1.
What is the InChIKey of N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide?
The InChIKey is CTVFMQRTCPFSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c22-16-10-8-15(9-11-16)20-23-19(28-24-20)12-13-25(17-5-2-1-3-6-17)21(26)18-7-4-14-27-18/h4,7-11,14,17H,1-3,5-6,12-13H2.
What are the key properties of N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide?
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide has a molecular weight of 444.33 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide is sourced from PubChem (CID 83279040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).