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

C19H15BrF2N4O2 — CID 95058025

IUPAC(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C19H15BrF2N4O2/c20-13-4-1-2-5-15(13)23-19(27)26-9-3-6-16(26)18-24-17(25-28-18)12-8-7-11(21)10-14(12)22/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,23,27)/t16-/m0/s1
InChIKeyALARHXDCCBHBAV-INIZCTEOSA-N
MW449.26 g/mol
LogP5.15
Rot. Bonds3

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

(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 95058025) has the molecular formula C19H15BrF2N4O2 and a molecular weight of 449.26 g/mol. Its IUPAC name is (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID95058025
Molecular FormulaC19H15BrF2N4O2
Molecular Weight449.26 g/mol
Exact Mass448.03
IUPAC Name(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C19H15BrF2N4O2/c20-13-4-1-2-5-15(13)23-19(27)26-9-3-6-16(26)18-24-17(25-28-18)12-8-7-11(21)10-14(12)22/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,23,27)/t16-/m0/s1
InChIKeyALARHXDCCBHBAV-INIZCTEOSA-N
XLogP5.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.26
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058038
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 95058016
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 53039533
N-(2,4-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206199
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 95058070
2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 53039526
(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 95058053
(2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116651
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95057996
N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206196
(2S)-N-(3-cyanophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058083
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95058066

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 95058025) is (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1Br)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1.
What is the InChIKey of (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is ALARHXDCCBHBAV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15BrF2N4O2/c20-13-4-1-2-5-15(13)23-19(27)26-9-3-6-16(26)18-24-17(25-28-18)12-8-7-11(21)10-14(12)22/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,23,27)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
(2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 449.26 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95058025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).