4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole

C13H15BrN2O — CID 115061779

IUPAC4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
SMILESBrc1cccc(C2COC(C3CCCN3)=N2)c1
InChIInChI=1S/C13H15BrN2O/c14-10-4-1-3-9(7-10)12-8-17-13(16-12)11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8H2
InChIKeyMOGBHABNCCJUDB-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.67
Rot. Bonds2

About 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole

4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061779) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061779
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
SMILESBrc1cccc(C2COC(C3CCCN3)=N2)c1
InChIInChI=1S/C13H15BrN2O/c14-10-4-1-3-9(7-10)12-8-17-13(16-12)11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8H2
InChIKeyMOGBHABNCCJUDB-UHFFFAOYSA-N
XLogP2.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol
CID 115061922
4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061919
2-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84712359
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
4-(2-methoxyphenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061930
3-(3-bromophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569086
3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
CID 115062135
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
2-(3-bromophenyl)imidazolidine
CID 57237390
4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898794
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 115061824

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole (CID 115061779) is 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole is Brc1cccc(C2COC(C3CCCN3)=N2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is MOGBHABNCCJUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-10-4-1-3-9(7-10)12-8-17-13(16-12)11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8H2.
What are the key properties of 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 295.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).