(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole

C17H14BrNO — CID 134961820

IUPAC(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC=C(c1ccc(Br)cc1)[C@H]1CN=C(c2ccccc2)O1
InChIInChI=1S/C17H14BrNO/c1-12(13-7-9-15(18)10-8-13)16-11-19-17(20-16)14-5-3-2-4-6-14/h2-10,16H,1,11H2/t16-/m1/s1
InChIKeyJUGFPHLITFAZGA-MRXNPFEDSA-N
MW328.21 g/mol
LogP4.31
Rot. Bonds3

About (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole

(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 134961820) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID134961820
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC=C(c1ccc(Br)cc1)[C@H]1CN=C(c2ccccc2)O1
InChIInChI=1S/C17H14BrNO/c1-12(13-7-9-15(18)10-8-13)16-11-19-17(20-16)14-5-3-2-4-6-14/h2-10,16H,1,11H2/t16-/m1/s1
InChIKeyJUGFPHLITFAZGA-MRXNPFEDSA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate
CID 71475241
(5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole
CID 134961816
2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
CID 135011554
2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-ol
CID 14650602
(5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine
CID 122224215
2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132523730
2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 13484536
6-[1-[4-(4-bromophenyl)phenyl]ethenyl]-3,3-dimethyl-1,2,4-trioxane
CID 10150414
1-(4-phenylphenyl)ethenol
CID 89336300
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
CID 132556766
1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 957384
6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 5102402

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole (CID 134961820) is (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole is C=C(c1ccc(Br)cc1)[C@H]1CN=C(c2ccccc2)O1.
What is the InChIKey of (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is JUGFPHLITFAZGA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-12(13-7-9-15(18)10-8-13)16-11-19-17(20-16)14-5-3-2-4-6-14/h2-10,16H,1,11H2/t16-/m1/s1.
What are the key properties of (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 328.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134961820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).