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

C19H16Br2N4O2 — CID 4239791

IUPACN-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCCC1c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C19H16Br2N4O2/c20-13-5-3-12(4-6-13)17-23-18(27-24-17)16-2-1-11-25(16)19(26)22-15-9-7-14(21)8-10-15/h3-10,16H,1-2,11H2,(H,22,26)
InChIKeyLJJZJQDXFJDKSN-UHFFFAOYSA-N
MW492.17 g/mol
LogP5.63
Rot. Bonds3

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

N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 4239791) has the molecular formula C19H16Br2N4O2 and a molecular weight of 492.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID4239791
Molecular FormulaC19H16Br2N4O2
Molecular Weight492.17 g/mol
Exact Mass489.96
IUPAC NameN-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCCC1c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C19H16Br2N4O2/c20-13-5-3-12(4-6-13)17-23-18(27-24-17)16-2-1-11-25(16)19(26)22-15-9-7-14(21)8-10-15/h3-10,16H,1-2,11H2,(H,22,26)
InChIKeyLJJZJQDXFJDKSN-UHFFFAOYSA-N
XLogP5.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.17
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4018213
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide
CID 42765361
(2R)-N-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116608
(2S)-N-(3-bromophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 7481960
N-(4-ethylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 3608714
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[2,6-di(propan-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 42765359
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7412499
(2S)-N-(4-cyanophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7411418
(2S)-N-(3,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7410850
(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-difluorophenyl)pyrrolidine-1-carboxamide
CID 7417635
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 4283064
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 5043019

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 4239791) is N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCCC1c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is LJJZJQDXFJDKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N4O2/c20-13-5-3-12(4-6-13)17-23-18(27-24-17)16-2-1-11-25(16)19(26)22-15-9-7-14(21)8-10-15/h3-10,16H,1-2,11H2,(H,22,26).
What are the key properties of N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 492.17 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 4239791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).