(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one

C21H16ClNO3 — CID 59485641

IUPAC(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO3/c22-16-9-11-17(12-10-16)23-20(14-25-21(23)24)15-5-4-8-19(13-15)26-18-6-2-1-3-7-18/h1-13,20H,14H2/t20-/m1/s1
InChIKeyFJGWYQYWVPYMSR-HXUWFJFHSA-N
MW365.82 g/mol
LogP5.83
Rot. Bonds4

About (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one

(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 59485641) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID59485641
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO3/c22-16-9-11-17(12-10-16)23-20(14-25-21(23)24)15-5-4-8-19(13-15)26-18-6-2-1-3-7-18/h1-13,20H,14H2/t20-/m1/s1
InChIKeyFJGWYQYWVPYMSR-HXUWFJFHSA-N
XLogP5.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 11676220
5-((3-Ethylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887322
4-[(2-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 53322554
4-[(3-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 53322555
(6S)-9-[(2-chlorophenyl)methyl]-13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529212
2-Oxazolidinone, 3-(4-(2-(3-chlorophenyl)ethoxy)phenyl)-5-(methoxymethyl)-
CID 3061366
3-[4-(3-Chloro-benzyloxy)-phenyl]-5-dimethylaminomethyl-oxazolidin-2-one;hydrochloride
CID 14966401
MD 220661
CID 44149504
5-[[3-(Aminomethyl)phenoxy]methyl]-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 171344080
(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-4-(3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 24946372
(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-4-(3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 24946373
(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-4-(3,5-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 24946723

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one (CID 59485641) is (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one is O=C1OC[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FJGWYQYWVPYMSR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16ClNO3/c22-16-9-11-17(12-10-16)23-20(14-25-21(23)24)15-5-4-8-19(13-15)26-18-6-2-1-3-7-18/h1-13,20H,14H2/t20-/m1/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one?
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 365.82 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59485641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).