(4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one

C27H29NO4 — CID 134936441

IUPAC(4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H]1COC(=O)N1C(=O)[C@@H](COCc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C27H29NO4/c1-2-9-24-19-32-27(30)28(24)26(29)23(18-31-17-20-10-4-3-5-11-20)16-22-14-8-13-21-12-6-7-15-25(21)22/h3-8,10-15,23-24H,2,9,16-19H2,1H3/t23-,24-/m1/s1
InChIKeySWXSYMDXNCAEQC-DNQXCXABSA-N
MW431.53 g/mol
LogP5.36
Rot. Bonds9

About (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one

(4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one (PubChem CID 134936441) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one
PubChem CID134936441
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name(4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H]1COC(=O)N1C(=O)[C@@H](COCc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C27H29NO4/c1-2-9-24-19-32-27(30)28(24)26(29)23(18-31-17-20-10-4-3-5-11-20)16-22-14-8-13-21-12-6-7-15-25(21)22/h3-8,10-15,23-24H,2,9,16-19H2,1H3/t23-,24-/m1/s1
InChIKeySWXSYMDXNCAEQC-DNQXCXABSA-N
XLogP5.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

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US11141410, Example 67
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(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(4-naphthalen-1-ylbutanoyl)-1,3-oxazolidin-2-one
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(4R)-4-benzyl-3-[(2S)-2-[(2-fluoro-4-methylphenyl)methyl]-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
CID 21580032
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CID 10906067
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CID 22848811
(4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
CID 86714918
(R)-4-(2-(4-benzyl-2-oxooxazolidin-3-yl)-2-oxoethyl)benzyl 2,4-dimethylbenzoate
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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one (CID 134936441) is (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one is CCC[C@@H]1COC(=O)N1C(=O)[C@@H](COCc1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one?
The InChIKey is SWXSYMDXNCAEQC-DNQXCXABSA-N. The full InChI is InChI=1S/C27H29NO4/c1-2-9-24-19-32-27(30)28(24)26(29)23(18-31-17-20-10-4-3-5-11-20)16-22-14-8-13-21-12-6-7-15-25(21)22/h3-8,10-15,23-24H,2,9,16-19H2,1H3/t23-,24-/m1/s1.
What are the key properties of (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one has a molecular weight of 431.53 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-2-(naphthalen-1-ylmethyl)-3-phenylmethoxypropanoyl]-4-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134936441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).