(5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one

C23H29NO3 — CID 162237882

IUPAC(5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H](C)CC[C@@H]2CN([C@@H](C)c3cccc(C)c3)C(=O)O2)c1
InChIInChI=1S/C23H29NO3/c1-16-7-5-9-20(13-16)18(3)24-15-22(27-23(24)25)12-11-17(2)19-8-6-10-21(14-19)26-4/h5-10,13-14,17-18,22H,11-12,15H2,1-4H3/t17-,18+,22-/m1/s1
InChIKeyBLBYDFYYXSZWQI-KGVIQGDOSA-N
MW367.49 g/mol
LogP5.47
Rot. Bonds7

About (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one

(5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 162237882) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID162237882
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H](C)CC[C@@H]2CN([C@@H](C)c3cccc(C)c3)C(=O)O2)c1
InChIInChI=1S/C23H29NO3/c1-16-7-5-9-20(13-16)18(3)24-15-22(27-23(24)25)12-11-17(2)19-8-6-10-21(14-19)26-4/h5-10,13-14,17-18,22H,11-12,15H2,1-4H3/t17-,18+,22-/m1/s1
InChIKeyBLBYDFYYXSZWQI-KGVIQGDOSA-N
XLogP5.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(3R)-3-(3-methylphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one
CID 161384859
(5R)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
CID 56968307
4-(3-methoxyphenyl)-3-[(3S)-3-(3-methoxyphenyl)butyl]morpholine
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CID 110726002
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
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CID 160709287
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CID 20523012
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
CID 105086643
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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one (CID 162237882) is (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one is COc1cccc([C@H](C)CC[C@@H]2CN([C@@H](C)c3cccc(C)c3)C(=O)O2)c1.
What is the InChIKey of (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is BLBYDFYYXSZWQI-KGVIQGDOSA-N. The full InChI is InChI=1S/C23H29NO3/c1-16-7-5-9-20(13-16)18(3)24-15-22(27-23(24)25)12-11-17(2)19-8-6-10-21(14-19)26-4/h5-10,13-14,17-18,22H,11-12,15H2,1-4H3/t17-,18+,22-/m1/s1.
What are the key properties of (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one?
(5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3R)-3-(3-methoxyphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162237882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).