[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone

C20H17BrN2O2 — CID 55888696

IUPAC[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2cnco2)cc1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C20H17BrN2O2/c21-17-4-1-3-16(11-17)18-5-2-10-23(18)20(24)15-8-6-14(7-9-15)19-12-22-13-25-19/h1,3-4,6-9,11-13,18H,2,5,10H2
InChIKeyRCIHKRNXBSCFJJ-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.08
Rot. Bonds3

About [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone

[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone (PubChem CID 55888696) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
PubChem CID55888696
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2cnco2)cc1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C20H17BrN2O2/c21-17-4-1-3-16(11-17)18-5-2-10-23(18)20(24)15-8-6-14(7-9-15)19-12-22-13-25-19/h1,3-4,6-9,11-13,18H,2,5,10H2
InChIKeyRCIHKRNXBSCFJJ-UHFFFAOYSA-N
XLogP5.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,3-oxazol-5-yl)phenyl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616600
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
[(5aS,8aS)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 95770737
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone
CID 63103415
[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 55889204
[2-(3-bromophenyl)pyrrolidin-1-yl]-(2-ethoxy-4-pyridinyl)methanone
CID 86968098
1-[5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55888947
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55889332
(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 66463523

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The IUPAC name of [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone (CID 55888696) is [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2cnco2)cc1)N1CCCC1c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The InChIKey is RCIHKRNXBSCFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c21-17-4-1-3-16(11-17)18-5-2-10-23(18)20(24)15-8-6-14(7-9-15)19-12-22-13-25-19/h1,3-4,6-9,11-13,18H,2,5,10H2.
What are the key properties of [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone has a molecular weight of 397.27 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone is sourced from PubChem (CID 55888696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).