5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole

C16H19BrN2O — CID 95056225

IUPAC5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2Cc2cccc(Br)c2)on1
InChIInChI=1S/C16H19BrN2O/c1-2-14-10-16(20-18-14)15-7-4-8-19(15)11-12-5-3-6-13(17)9-12/h3,5-6,9-10,15H,2,4,7-8,11H2,1H3/t15-/m1/s1
InChIKeyPQAROTRMMNJTNR-OAHLLOKOSA-N
MW335.25 g/mol
LogP4.34
Rot. Bonds4

About 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole

5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole (PubChem CID 95056225) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
PubChem CID95056225
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2Cc2cccc(Br)c2)on1
InChIInChI=1S/C16H19BrN2O/c1-2-14-10-16(20-18-14)15-7-4-8-19(15)11-12-5-3-6-13(17)9-12/h3,5-6,9-10,15H,2,4,7-8,11H2,1H3/t15-/m1/s1
InChIKeyPQAROTRMMNJTNR-OAHLLOKOSA-N
XLogP4.34
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole?
The IUPAC name of 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole (CID 95056225) is 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole.
What is the SMILES notation for 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole?
The canonical SMILES for 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole is CCc1cc([C@H]2CCCN2Cc2cccc(Br)c2)on1.
What is the InChIKey of 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole?
The InChIKey is PQAROTRMMNJTNR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-2-14-10-16(20-18-14)15-7-4-8-19(15)11-12-5-3-6-13(17)9-12/h3,5-6,9-10,15H,2,4,7-8,11H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole?
5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole has a molecular weight of 335.25 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole is sourced from PubChem (CID 95056225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).