[2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone

C17H16BrNO3 — CID 16655260

IUPAC[2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCOC2c2ccccc2Br)cc1
InChIInChI=1S/C17H16BrNO3/c1-21-13-8-6-12(7-9-13)16(20)19-10-11-22-17(19)14-4-2-3-5-15(14)18/h2-9,17H,10-11H2,1H3
InChIKeyHOMSYASQTPLCRC-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.63
Rot. Bonds3

About [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone

[2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 16655260) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID16655260
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name[2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCOC2c2ccccc2Br)cc1
InChIInChI=1S/C17H16BrNO3/c1-21-13-8-6-12(7-9-13)16(20)19-10-11-22-17(19)14-4-2-3-5-15(14)18/h2-9,17H,10-11H2,1H3
InChIKeyHOMSYASQTPLCRC-UHFFFAOYSA-N
XLogP3.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(3-methyl-2-phenylmorpholin-4-yl)methanone
CID 110728442
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
[4-(dimethylamino)phenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110746618
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1112858
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886
2,2,2-trifluoro-1-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
CID 15684547
(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316317

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone (CID 16655260) is [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCOC2c2ccccc2Br)cc1.
What is the InChIKey of [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HOMSYASQTPLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-21-13-8-6-12(7-9-13)16(20)19-10-11-22-17(19)14-4-2-3-5-15(14)18/h2-9,17H,10-11H2,1H3.
What are the key properties of [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone?
[2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 362.22 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-1,3-oxazolidin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 16655260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).