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

C19H15BrN4O3 — CID 34411727

IUPAC(3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C19H15BrN4O3/c20-15-6-1-2-7-16(15)24-10-13(9-17(24)25)18(26)22-14-5-3-4-12(8-14)19-23-21-11-27-19/h1-8,11,13H,9-10H2,(H,22,26)/t13-/m1/s1
InChIKeyGLZSFVZOSLRFIE-CYBMUJFWSA-N
MW427.26 g/mol
LogP3.49
Rot. Bonds4

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

(3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 34411727) has the molecular formula C19H15BrN4O3 and a molecular weight of 427.26 g/mol. Its IUPAC name is (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID34411727
Molecular FormulaC19H15BrN4O3
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC Name(3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C19H15BrN4O3/c20-15-6-1-2-7-16(15)24-10-13(9-17(24)25)18(26)22-14-5-3-4-12(8-14)19-23-21-11-27-19/h1-8,11,13H,9-10H2,(H,22,26)/t13-/m1/s1
InChIKeyGLZSFVZOSLRFIE-CYBMUJFWSA-N
XLogP3.49
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86928018
1-(2,3-dihydro-1H-inden-5-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43061649
1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 60555884
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51729548
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
1-(2-bromophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953141
1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42953075
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586390
1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46485875

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 34411727) is (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GLZSFVZOSLRFIE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H15BrN4O3/c20-15-6-1-2-7-16(15)24-10-13(9-17(24)25)18(26)22-14-5-3-4-12(8-14)19-23-21-11-27-19/h1-8,11,13H,9-10H2,(H,22,26)/t13-/m1/s1.
What are the key properties of (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 427.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 34411727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).