(4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C21H23NO3 — CID 15296205

IUPAC(4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO3/c1-15(2)18(16-9-5-3-6-10-16)13-20(23)22-19(14-25-21(22)24)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyJFJWHAKPYJFGEO-RBUKOAKNSA-N
MW337.42 g/mol
LogP4.54
Rot. Bonds5

About (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 15296205) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID15296205
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO3/c1-15(2)18(16-9-5-3-6-10-16)13-20(23)22-19(14-25-21(22)24)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyJFJWHAKPYJFGEO-RBUKOAKNSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
CID 11187377
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2368876
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
Phenethyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884832
(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630
Acetic acid, diphenyl-, 2-(cyclopentylpropylamino)ethyl ester
CID 30635
Acetic acid, diphenyl-, 2-(cyclopentylmethylamino)ethyl ester
CID 30642

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 15296205) is (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JFJWHAKPYJFGEO-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15(2)18(16-9-5-3-6-10-16)13-20(23)22-19(14-25-21(22)24)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S)-4-methyl-3-phenylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15296205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).