(4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

C18H31NO3Si — CID 42645209

IUPAC(4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC[C@H]1[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H31NO3Si/c1-8-10-19-16(12-22-18(19)21)17(20)9-11-23(13(2)3,14(4)5)15(6)7/h8,13-17,20H,1,10,12H2,2-7H3/t16-,17+/m0/s1
InChIKeySYYZEFOVJTUXNK-DLBZAZTESA-N
MW337.54 g/mol
LogP3.58
Rot. Bonds6

About (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

(4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 42645209) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID42645209
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Name(4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC[C@H]1[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H31NO3Si/c1-8-10-19-16(12-22-18(19)21)17(20)9-11-23(13(2)3,14(4)5)15(6)7/h8,13-17,20H,1,10,12H2,2-7H3/t16-,17+/m0/s1
InChIKeySYYZEFOVJTUXNK-DLBZAZTESA-N
XLogP3.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[(1R)-1-hydroxyprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 42645440
(4R)-4-[(R)-(5-bromo-2-pyridinyl)-hydroxymethyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 118072251
2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
CID 58821279
(4S)-4-benzyl-3-[(2S,3R,5S)-3-hydroxy-5-methyl-2-prop-2-enyl-7-tri(propan-2-yl)silylhept-6-ynoyl]-1,3-oxazolidin-2-one
CID 11548010
(4R)-3-[(3S)-3-hydroxypent-4-enyl]-4-[(1S)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one
CID 10728002
(4R)-4-(1,1-difluorobut-3-enyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11310481
(4S)-3-hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11053746
(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
CID 90414373
5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 126662409
(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90423794
4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 146157496
3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 42645209) is (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1C(=O)OC[C@H]1[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is SYYZEFOVJTUXNK-DLBZAZTESA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-8-10-19-16(12-22-18(19)21)17(20)9-11-23(13(2)3,14(4)5)15(6)7/h8,13-17,20H,1,10,12H2,2-7H3/t16-,17+/m0/s1.
What are the key properties of (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
(4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 337.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-hydroxy-3-tri(propan-2-yl)silylprop-2-ynyl]-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 42645209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).