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

C17H16BrNO2 — CID 135035333

IUPAC(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole
SMILESCOc1ccc([C@]2(CBr)CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C17H16BrNO2/c1-20-15-9-7-14(8-10-15)17(11-18)12-19-16(21-17)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3/t17-/m0/s1
InChIKeyPRJRMILQSVJLRD-KRWDZBQOSA-N
MW346.22 g/mol
LogP3.76
Rot. Bonds4

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

(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole (PubChem CID 135035333) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole
PubChem CID135035333
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole
SMILESCOc1ccc([C@]2(CBr)CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C17H16BrNO2/c1-20-15-9-7-14(8-10-15)17(11-18)12-19-16(21-17)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3/t17-/m0/s1
InChIKeyPRJRMILQSVJLRD-KRWDZBQOSA-N
XLogP3.76
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.76
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

2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
(6S)-6-(bromomethyl)-6-(4-methoxyphenyl)oxan-2-one
CID 102342730
5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole
CID 141059352
2-ethyl-2-(4-methoxyphenyl)oxirane
CID 62772995
1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
CID 5299787
(4R)-4-(bromomethyl)-4-methyl-2-phenyl-3,1-benzoxazine
CID 102454729
2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene
CID 11730383
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
(4R)-2-[[(4R)-5,5-bis(4-methoxyphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(4-methoxyphenyl)-4-phenyl-4H-1,3-oxazole;nickel(2+);dichloride
CID 158379932
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
2-ethyl-5-hydroxy-2-(4-methoxyphenyl)-3H-1-benzofuran-4-carboxylic acid
CID 90000428
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole?
The IUPAC name of (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole (CID 135035333) is (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole?
The canonical SMILES for (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole is COc1ccc([C@]2(CBr)CN=C(c3ccccc3)O2)cc1.
What is the InChIKey of (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole?
The InChIKey is PRJRMILQSVJLRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-20-15-9-7-14(8-10-15)17(11-18)12-19-16(21-17)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3/t17-/m0/s1.
What are the key properties of (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole?
(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole has a molecular weight of 346.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 135035333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).