(2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol

C17H21NO3Si — CID 122373666

IUPAC(2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol
SMILESC[Si](C)(C)C#C[C@@](O)(CO)Cc1cnc(-c2ccccc2)o1
InChIInChI=1S/C17H21NO3Si/c1-22(2,3)10-9-17(20,13-19)11-15-12-18-16(21-15)14-7-5-4-6-8-14/h4-8,12,19-20H,11,13H2,1-3H3/t17-/m0/s1
InChIKeyMJLZLLNNFDGTCX-KRWDZBQOSA-N
MW315.44 g/mol
LogP2.49
Rot. Bonds4

About (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol

(2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol (PubChem CID 122373666) has the molecular formula C17H21NO3Si and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol.

Molecular Properties

Compound Name(2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol
PubChem CID122373666
Molecular FormulaC17H21NO3Si
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol
SMILESC[Si](C)(C)C#C[C@@](O)(CO)Cc1cnc(-c2ccccc2)o1
InChIInChI=1S/C17H21NO3Si/c1-22(2,3)10-9-17(20,13-19)11-15-12-18-16(21-15)14-7-5-4-6-8-14/h4-8,12,19-20H,11,13H2,1-3H3/t17-/m0/s1
InChIKeyMJLZLLNNFDGTCX-KRWDZBQOSA-N
XLogP2.49
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-bromo-2-hydroxy-3-phenyl-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]propanoate
CID 138983945
5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
CID 11414009
methyl (E,2R)-2-hydroxy-2-[[2-(4-methylphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate
CID 122373661
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
1-(2-phenyl-1,3-oxazol-5-yl)ethanol
CID 115087081
(3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol
CID 146139465
3-(2-phenyl-1,3-oxazol-5-yl)pentan-3-ylphosphonic acid
CID 19995245
5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole
CID 62707470
2-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 57076907
2-[2-(4-methylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82471717
methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate
CID 122373659
2-phenyl-1,3-oxazole-5-carbonitrile
CID 130055318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol?
The IUPAC name of (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol (CID 122373666) is (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol.
What is the SMILES notation for (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol?
The canonical SMILES for (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol is C[Si](C)(C)C#C[C@@](O)(CO)Cc1cnc(-c2ccccc2)o1.
What is the InChIKey of (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol?
The InChIKey is MJLZLLNNFDGTCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO3Si/c1-22(2,3)10-9-17(20,13-19)11-15-12-18-16(21-15)14-7-5-4-6-8-14/h4-8,12,19-20H,11,13H2,1-3H3/t17-/m0/s1.
What are the key properties of (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol?
(2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol has a molecular weight of 315.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]-4-trimethylsilylbut-3-yne-1,2-diol is sourced from PubChem (CID 122373666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).