5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole

C13H13BrN2O — CID 84715623

IUPAC5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESBrc1cccc(-c2cnc(C3CCNC3)o2)c1
InChIInChI=1S/C13H13BrN2O/c14-11-3-1-2-9(6-11)12-8-16-13(17-12)10-4-5-15-7-10/h1-3,6,8,10,15H,4-5,7H2
InChIKeyZCGQVFJBNUKATL-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.18
Rot. Bonds2

About 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole

5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 84715623) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID84715623
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESBrc1cccc(-c2cnc(C3CCNC3)o2)c1
InChIInChI=1S/C13H13BrN2O/c14-11-3-1-2-9(6-11)12-8-16-13(17-12)10-4-5-15-7-10/h1-3,6,8,10,15H,4-5,7H2
InChIKeyZCGQVFJBNUKATL-UHFFFAOYSA-N
XLogP3.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol
CID 84693433
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304
2-bromo-5-(3-bromophenyl)-1,3-oxazole
CID 117259582
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
CID 84604162
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805674
2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885080
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037
5-(1-methylcyclopropyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115019177
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
CID 115028752
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84685995

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole (CID 84715623) is 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole is Brc1cccc(-c2cnc(C3CCNC3)o2)c1.
What is the InChIKey of 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is ZCGQVFJBNUKATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-11-3-1-2-9(6-11)12-8-16-13(17-12)10-4-5-15-7-10/h1-3,6,8,10,15H,4-5,7H2.
What are the key properties of 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole?
5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 293.16 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 84715623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).