(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

C11H12BrNO2 — CID 99994013

IUPAC(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](CBr)C2)cc1
InChIInChI=1S/C11H12BrNO2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyNBGHMDFWNOZPLO-SNVBAGLBSA-N
MW270.13 g/mol
LogP2.58
Rot. Bonds3

About (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 99994013) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID99994013
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](CBr)C2)cc1
InChIInChI=1S/C11H12BrNO2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyNBGHMDFWNOZPLO-SNVBAGLBSA-N
XLogP2.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212
2-[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetonitrile
CID 51674838
5-(bromomethyl)-3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole
CID 102568558
5-but-3-enyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 86058522
(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562323
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562209
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methylpropanamide
CID 24715443
(5S)-3-(4-methoxyphenyl)-5-[(4-nitrophenoxy)methyl]-4,5-dihydro-1,2-oxazole
CID 6931937
(5R)-5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26415844

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 99994013) is (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NO[C@@H](CBr)C2)cc1.
What is the InChIKey of (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is NBGHMDFWNOZPLO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-5,10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 270.13 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 99994013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).