(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C21H21NO4 — CID 15314141

IUPAC(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=CC(CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C21H21NO4/c1-3-15(17-10-7-11-18(12-17)25-2)13-20(23)22-19(14-26-21(22)24)16-8-5-4-6-9-16/h3-12,15,19H,1,13-14H2,2H3/t15?,19-/m0/s1
InChIKeyRMXKJYGMPWQBAE-FUBQLUNQSA-N
MW351.40 g/mol
LogP4.07
Rot. Bonds6

About (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 15314141) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID15314141
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=CC(CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C21H21NO4/c1-3-15(17-10-7-11-18(12-17)25-2)13-20(23)22-19(14-26-21(22)24)16-8-5-4-6-9-16/h3-12,15,19H,1,13-14H2,2H3/t15?,19-/m0/s1
InChIKeyRMXKJYGMPWQBAE-FUBQLUNQSA-N
XLogP4.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-phenyl-3-(3-phenylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 15314139
(4S)-3-[(3R)-3-naphthalen-2-ylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 70066495
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864
(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102004114
(4S)-3-[(3R)-4-methyl-3-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163564616
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(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
3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 70944339
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 15314141) is (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is C=CC(CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cccc(OC)c1.
What is the InChIKey of (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RMXKJYGMPWQBAE-FUBQLUNQSA-N. The full InChI is InChI=1S/C21H21NO4/c1-3-15(17-10-7-11-18(12-17)25-2)13-20(23)22-19(14-26-21(22)24)16-8-5-4-6-9-16/h3-12,15,19H,1,13-14H2,2H3/t15?,19-/m0/s1.
What are the key properties of (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 351.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15314141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).