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

C13H13BrN2O — CID 84715620

IUPAC5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
SMILESBrc1ccccc1-c1cnc(C2CCCN2)o1
InChIInChI=1S/C13H13BrN2O/c14-10-5-2-1-4-9(10)12-8-16-13(17-12)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2
InChIKeyRKWGZAMUYYWTLN-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.53
Rot. Bonds2

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

5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole (PubChem CID 84715620) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
PubChem CID84715620
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
SMILESBrc1ccccc1-c1cnc(C2CCCN2)o1
InChIInChI=1S/C13H13BrN2O/c14-10-5-2-1-4-9(10)12-8-16-13(17-12)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2
InChIKeyRKWGZAMUYYWTLN-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 52983812
4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898799
2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
CID 82049611
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
CID 115085656
7-bromo-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83866956
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine
CID 116898873
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
CID 115085669
2-[2-[(2S)-pyrrolidin-2-yl]phenyl]pyridine;hydrochloride
CID 164551354
2-(2-pyrrolidin-2-ylphenyl)benzenethiol
CID 175093936

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole?
The IUPAC name of 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole (CID 84715620) is 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole?
The canonical SMILES for 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole is Brc1ccccc1-c1cnc(C2CCCN2)o1.
What is the InChIKey of 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole?
The InChIKey is RKWGZAMUYYWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-10-5-2-1-4-9(10)12-8-16-13(17-12)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2.
What are the key properties of 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole?
5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole has a molecular weight of 293.16 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole is sourced from PubChem (CID 84715620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).