(4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C28H29NO4 — CID 141294893

IUPAC(4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@@](C)(C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C28H29NO4/c1-3-17-28(2,23-15-10-16-24(18-23)32-19-21-11-6-4-7-12-21)26(30)29-25(20-33-27(29)31)22-13-8-5-9-14-22/h4-16,18,25H,3,17,19-20H2,1-2H3/t25-,28+/m0/s1
InChIKeyYKDDMKCGQRIZFA-LBNVMWSVSA-N
MW443.54 g/mol
LogP6.04
Rot. Bonds8

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

(4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 141294893) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID141294893
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name(4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@@](C)(C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C28H29NO4/c1-3-17-28(2,23-15-10-16-24(18-23)32-19-21-11-6-4-7-12-21)26(30)29-25(20-33-27(29)31)22-13-8-5-9-14-22/h4-16,18,25H,3,17,19-20H2,1-2H3/t25-,28+/m0/s1
InChIKeyYKDDMKCGQRIZFA-LBNVMWSVSA-N
XLogP6.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 162535976
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
(4S)-3-[(3S)-3-(4-fluoroanilino)-3-(4-phenylmethoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 139492193
(4S)-3-[(E)-2-methyl-4-phenylmethoxybut-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 25231256
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate
CID 129390639
(4S)-3-[(3R)-3-hydroxy-2,2-dimethylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134277901
benzyl (2S)-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]aziridine-1-carboxylate
CID 53467473
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 141294893) is (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is CCC[C@@](C)(C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YKDDMKCGQRIZFA-LBNVMWSVSA-N. The full InChI is InChI=1S/C28H29NO4/c1-3-17-28(2,23-15-10-16-24(18-23)32-19-21-11-6-4-7-12-21)26(30)29-25(20-33-27(29)31)22-13-8-5-9-14-22/h4-16,18,25H,3,17,19-20H2,1-2H3/t25-,28+/m0/s1.
What are the key properties of (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 443.54 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-2-methyl-2-(3-phenylmethoxyphenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141294893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).