4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C24H21NO5 — CID 4916468

IUPAC4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(=O)CN2C(=O)OC(c3ccccc3)C2(O)c2ccccc2)cc1
InChIInChI=1S/C24H21NO5/c1-29-20-14-12-17(13-15-20)21(26)16-25-23(27)30-22(18-8-4-2-5-9-18)24(25,28)19-10-6-3-7-11-19/h2-15,22,28H,16H2,1H3
InChIKeyPJDQYVLNACAXBY-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.92
Rot. Bonds6

About 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one

4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 4916468) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID4916468
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(=O)CN2C(=O)OC(c3ccccc3)C2(O)c2ccccc2)cc1
InChIInChI=1S/C24H21NO5/c1-29-20-14-12-17(13-15-20)21(26)16-25-23(27)30-22(18-8-4-2-5-9-18)24(25,28)19-10-6-3-7-11-19/h2-15,22,28H,16H2,1H3
InChIKeyPJDQYVLNACAXBY-UHFFFAOYSA-N
XLogP3.92
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 4916828
(4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 7323069
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
4-ethyl-3-(4-methoxyphenyl)-2-phenylmorpholin-3-ol
CID 139270337
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
(2R,3S)-2-(4-methoxybenzoyl)-3-phenyloxirane-2-carbonitrile
CID 51031994
2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-methoxyphenyl)ethanone
CID 123728742
1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110611250
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606471
2-[(2S,4S)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 11272311
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
S-phenacyl 4-methoxybenzenecarbothioate
CID 135051267

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 4916468) is 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one is COc1ccc(C(=O)CN2C(=O)OC(c3ccccc3)C2(O)c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is PJDQYVLNACAXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-29-20-14-12-17(13-15-20)21(26)16-25-23(27)30-22(18-8-4-2-5-9-18)24(25,28)19-10-6-3-7-11-19/h2-15,22,28H,16H2,1H3.
What are the key properties of 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 403.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4916468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).