(4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C24H35NO4Si — CID 10502726

IUPAC(4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C#C[Si](C)(C)C)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C24H35NO4Si/c1-17(2)22-16-29-24(27)25(22)23(26)18(3)21(13-14-30(5,6)7)19(4)28-15-20-11-9-8-10-12-20/h8-12,17-19,21-22H,15-16H2,1-7H3/t18?,19-,21?,22-/m1/s1
InChIKeyXULZQDGALAJXGT-XZJNEJNUSA-N
MW429.63 g/mol
LogP4.73
Rot. Bonds7

About (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10502726) has the molecular formula C24H35NO4Si and a molecular weight of 429.63 g/mol. Its IUPAC name is (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10502726
Molecular FormulaC24H35NO4Si
Molecular Weight429.63 g/mol
Exact Mass429.23
IUPAC Name(4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C#C[Si](C)(C)C)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C24H35NO4Si/c1-17(2)22-16-29-24(27)25(22)23(26)18(3)21(13-14-30(5,6)7)19(4)28-15-20-11-9-8-10-12-20/h8-12,17-19,21-22H,15-16H2,1-7H3/t18?,19-,21?,22-/m1/s1
InChIKeyXULZQDGALAJXGT-XZJNEJNUSA-N
XLogP4.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.63
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
CID 10596397
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(4S)-3-[(2R,3S)-2-methyl-3-phenyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24746063
3-[3-methoxy-2-methyl-5-(4-phenylmethoxyphenyl)pentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 155452091
(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11419224
(4S)-3-[(2R)-2-phenoxy-6-phenylmethoxyhex-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70191737
(2R,3S)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]pentan-1-one
CID 101004748
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(4S)-3-[(2R,3R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethyl-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one;carbon monoxide;cobalt
CID 10876666
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
(4S)-3-[(2S,3S)-3-hydroxy-6-[(4-methoxyphenyl)methoxy]-5-methyl-2-phenylmethoxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102498018

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10502726) is (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C#C[Si](C)(C)C)[C@@H](C)OCc1ccccc1.
What is the InChIKey of (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is XULZQDGALAJXGT-XZJNEJNUSA-N. The full InChI is InChI=1S/C24H35NO4Si/c1-17(2)22-16-29-24(27)25(22)23(26)18(3)21(13-14-30(5,6)7)19(4)28-15-20-11-9-8-10-12-20/h8-12,17-19,21-22H,15-16H2,1-7H3/t18?,19-,21?,22-/m1/s1.
What are the key properties of (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 429.63 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10502726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).