1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone

C17H14BrNO2 — CID 561044

IUPAC1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)C1ON=C(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C17H14BrNO2/c1-11(20)17-15(12-5-3-2-4-6-12)16(19-21-17)13-7-9-14(18)10-8-13/h2-10,15,17H,1H3
InChIKeyHKXMDCZQYPOYRX-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.92
Rot. Bonds3

About 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone

1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone (PubChem CID 561044) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
PubChem CID561044
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)C1ON=C(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C17H14BrNO2/c1-11(20)17-15(12-5-3-2-4-6-12)16(19-21-17)13-7-9-14(18)10-8-13/h2-10,15,17H,1H3
InChIKeyHKXMDCZQYPOYRX-UHFFFAOYSA-N
XLogP3.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 101542219
tert-butyl (5R)-5-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 101960424
[(Z)-1-(4-bromophenyl)ethylideneamino] 2-phenylcyclopropane-1-carboxylate
CID 5331309
Ethanone, 1-[3-(4-bromophenyl)-4,5-dihydro-5-phenyl-4-isoxazolyl]-
CID 538838
1-Propanone, 1-(4,5-dihydro-3,4-diphenyl-5-isoxazolyl)-
CID 563444
Ethanone, 1-(4,5-dihydro-3,4-diphenyl-5-isoxazolyl)-
CID 563445
({[(1E)-1-(4-bromophenyl)ethylidene]amino}oxy)(2-phenylcyclopropyl)methanone
CID 5719070
Zdfgiojgysjvdo-wbvhzdcisa-
CID 23270956
Vrrosqqyixwzsv-sjlpkxtdsa-
CID 23270957
3-(4-Bromophenyl)-5-methyl-4-phenyl-4,5-dihydro-5-isoxazolol
CID 22316689
3-(4-Bromophenyl)-5,5-dimethyl-1,2-oxazol-4-one
CID 140933950
(5-Benzyl-4,5-dihydro-1,2-oxazol-3-yl)-(4-bromophenyl)methanone
CID 141731960

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone?
The IUPAC name of 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone (CID 561044) is 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone is CC(=O)C1ON=C(c2ccc(Br)cc2)C1c1ccccc1.
What is the InChIKey of 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone?
The InChIKey is HKXMDCZQYPOYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11(20)17-15(12-5-3-2-4-6-12)16(19-21-17)13-7-9-14(18)10-8-13/h2-10,15,17H,1H3.
What are the key properties of 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone?
1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone has a molecular weight of 344.21 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 561044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).