(4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C34H34N2O3 — CID 10601997

IUPAC(4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C34H34N2O3/c1-2-28(22-33(37)36-32(25-39-34(36)38)29-17-10-5-11-18-29)30-19-12-20-31(21-30)35(23-26-13-6-3-7-14-26)24-27-15-8-4-9-16-27/h3-21,28,32H,2,22-25H2,1H3/t28-,32-/m1/s1
InChIKeyLXPOWZXZJLUZBJ-AKGWNBJDSA-N
MW518.66 g/mol
LogP7.50
Rot. Bonds10

About (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10601997) has the molecular formula C34H34N2O3 and a molecular weight of 518.66 g/mol. Its IUPAC name is (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10601997
Molecular FormulaC34H34N2O3
Molecular Weight518.66 g/mol
Exact Mass518.26
IUPAC Name(4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C34H34N2O3/c1-2-28(22-33(37)36-32(25-39-34(36)38)29-17-10-5-11-18-29)30-19-12-20-31(21-30)35(23-26-13-6-3-7-14-26)24-27-15-8-4-9-16-27/h3-21,28,32H,2,22-25H2,1H3/t28-,32-/m1/s1
InChIKeyLXPOWZXZJLUZBJ-AKGWNBJDSA-N
XLogP7.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-[3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71776304
(4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 97102609
2-[(1R)-1-[3-(dibenzylamino)phenyl]propyl]-1-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)butane-1,3-dione
CID 22940714
(3S)-3-[3-(dibenzylamino)phenyl]pentanoic acid
CID 10761896
2-[1-[3-(dibenzylamino)phenyl]propyl]-5-hydroxy-1-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-5-(2-phenylethyl)octane-1,3-dione
CID 22113896
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S)-3-[(3R)-4-methyl-3-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163564616
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
(4R)-4-phenyl-3-(3-phenylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 15314139
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 174188865
(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15314141

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 10601997) is (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LXPOWZXZJLUZBJ-AKGWNBJDSA-N. The full InChI is InChI=1S/C34H34N2O3/c1-2-28(22-33(37)36-32(25-39-34(36)38)29-17-10-5-11-18-29)30-19-12-20-31(21-30)35(23-26-13-6-3-7-14-26)24-27-15-8-4-9-16-27/h3-21,28,32H,2,22-25H2,1H3/t28-,32-/m1/s1.
What are the key properties of (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 518.66 g/mol, XLogP of 7.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10601997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).