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

C20H22N2O3 — CID 97102609

IUPAC(4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C20H22N2O3/c1-2-14(16-9-6-10-17(21)11-16)12-19(23)22-18(13-25-20(22)24)15-7-4-3-5-8-15/h3-11,14,18H,2,12-13,21H2,1H3/t14-,18+/m0/s1
InChIKeyRHHQJRJVLJCKLK-KBXCAEBGSA-N
MW338.41 g/mol
LogP3.87
Rot. Bonds5

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

(4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 97102609) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID97102609
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C20H22N2O3/c1-2-14(16-9-6-10-17(21)11-16)12-19(23)22-18(13-25-20(22)24)15-7-4-3-5-8-15/h3-11,14,18H,2,12-13,21H2,1H3/t14-,18+/m0/s1
InChIKeyRHHQJRJVLJCKLK-KBXCAEBGSA-N
XLogP3.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71776304
(4S)-3-[(3R)-3-[3-(dibenzylamino)phenyl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10601997
lithium;3-[3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one;(E)-pent-2-enoic acid;(E)-pent-2-enoyl chloride;3-[(E)-pent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-3-id-2-one
CID 158007856
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)-4-phenyl-3-(3-phenylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 15314139
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
(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
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4R)-3-[(3R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-nitrobutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134985435
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 97102609) is (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cccc(N)c1.
What is the InChIKey of (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RHHQJRJVLJCKLK-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-14(16-9-6-10-17(21)11-16)12-19(23)22-18(13-25-20(22)24)15-7-4-3-5-8-15/h3-11,14,18H,2,12-13,21H2,1H3/t14-,18+/m0/s1.
What are the key properties of (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S)-3-(3-aminophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 97102609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).