(4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole

C15H13BrN2O — CID 162393983

IUPAC(4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESBrc1ccc(C2=N[C@H](Cc3ccccc3)CO2)nc1
InChIInChI=1S/C15H13BrN2O/c16-12-6-7-14(17-9-12)15-18-13(10-19-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m1/s1
InChIKeyRAKCIORFQZQCIL-CYBMUJFWSA-N
MW317.19 g/mol
LogP3.23
Rot. Bonds3

About (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole

(4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole (PubChem CID 162393983) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole
PubChem CID162393983
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name(4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESBrc1ccc(C2=N[C@H](Cc3ccccc3)CO2)nc1
InChIInChI=1S/C15H13BrN2O/c16-12-6-7-14(17-9-12)15-18-13(10-19-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m1/s1
InChIKeyRAKCIORFQZQCIL-CYBMUJFWSA-N
XLogP3.23
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Doxylamine
CID 3162
4-Bromo-2-(methoxymethyl)pyridine
CID 58355080
N-Desmethyldoxylamine
CID 135338
(5-Phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 3241242
1-(2-pyridinyl)-1-ethanone O-(4-bromobenzyl)oxime
CID 5903888
2-(3-bromophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 5953789
R-Doxylamine
CID 6852255
N-[(5-bromo-2-pyridinyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325572
2-(2-(Phenylmethoxy)ethyl)pyridine
CID 95767
Doxylamine D5
CID 46781433
Pytamine
CID 3052768
Doxylamine, (S)-
CID 25271652

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole (CID 162393983) is (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole is Brc1ccc(C2=N[C@H](Cc3ccccc3)CO2)nc1.
What is the InChIKey of (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RAKCIORFQZQCIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-12-6-7-14(17-9-12)15-18-13(10-19-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
(4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 317.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 162393983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).