(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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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).