1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C19H19BrN2O2 — CID 95053066

IUPAC1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H19BrN2O2/c1-12(2)14-7-9-15(10-8-14)19-22(13(3)23)21-18(24-19)16-5-4-6-17(20)11-16/h4-12,19H,1-3H3/t19-/m1/s1
InChIKeyLAHCYUCXFRWPDS-LJQANCHMSA-N
MW387.28 g/mol
LogP4.81
Rot. Bonds3

About 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 95053066) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID95053066
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C19H19BrN2O2/c1-12(2)14-7-9-15(10-8-14)19-22(13(3)23)21-18(24-19)16-5-4-6-17(20)11-16/h4-12,19H,1-3H3/t19-/m1/s1
InChIKeyLAHCYUCXFRWPDS-LJQANCHMSA-N
XLogP4.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

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Related Compounds

1-[(2R)-2-(4-bromophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 957384
1-[(2S)-2-(3-bromophenyl)-5-naphthalen-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712818
1-[(2R)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063798
1-[(2S)-5-(3-bromophenyl)-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063797
1-[5-(2-chlorophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53019707
1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92707049
1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 23661086
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22576891
1-[(2R)-2-(3-bromophenyl)-5-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 94045757
1-[(2R)-2,5-bis(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 752951
1-[(2R)-2-naphthalen-2-yl-5-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712559

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 95053066) is 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is LAHCYUCXFRWPDS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12(2)14-7-9-15(10-8-14)19-22(13(3)23)21-18(24-19)16-5-4-6-17(20)11-16/h4-12,19H,1-3H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 387.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 95053066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).