(E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal

C25H29NO4Si — CID 10972140

IUPAC(E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal
SMILESC[Si](C)(c1ccccc1)[C@H](CC=O)C/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C25H29NO4Si/c1-31(2,22-12-7-4-8-13-22)23(16-17-27)14-9-15-24(28)26-21(19-30-25(26)29)18-20-10-5-3-6-11-20/h3-13,15,17,21,23H,14,16,18-19H2,1-2H3/b15-9+/t21-,23-/m0/s1
InChIKeyGRVRVGOGGYBTDE-FBHZIKQKSA-N
MW435.60 g/mol
LogP4.10
Rot. Bonds9

About (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal

(E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal (PubChem CID 10972140) has the molecular formula C25H29NO4Si and a molecular weight of 435.60 g/mol. Its IUPAC name is (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal.

Molecular Properties

Compound Name(E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal
PubChem CID10972140
Molecular FormulaC25H29NO4Si
Molecular Weight435.60 g/mol
Exact Mass435.19
IUPAC Name(E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal
SMILESC[Si](C)(c1ccccc1)[C@H](CC=O)C/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C25H29NO4Si/c1-31(2,22-12-7-4-8-13-22)23(16-17-27)14-9-15-24(28)26-21(19-30-25(26)29)18-20-10-5-3-6-11-20/h3-13,15,17,21,23H,14,16,18-19H2,1-2H3/b15-9+/t21-,23-/m0/s1
InChIKeyGRVRVGOGGYBTDE-FBHZIKQKSA-N
XLogP4.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
Locostatin
CID 5702600
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358
(4S)-4-benzyl-3-but-2-enoyl-oxazolidin-2-one
CID 2733816
4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 6255679
(R)-4-benzyl-3-((S)-2-methylpent-4-enoyl)oxazolidin-2-one
CID 9970521
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
(S)-4-Benzyl-3-hexanoyl-2-oxazolidinone
CID 10612452
(4S)-4-benzyl-3-[(2S)-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 11033035
(4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 11370014
(4R)-3-((E)-2-butenoyl)-4-(phenylmethyl)-2-oxazolidinone
CID 11481966
4-Benzyl-3-butanoyl-1,3-oxazolidin-2-one
CID 13949735

Frequently Asked Questions

What is the IUPAC name of (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal?
The IUPAC name of (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal (CID 10972140) is (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal.
What is the SMILES notation for (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal?
The canonical SMILES for (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal is C[Si](C)(c1ccccc1)[C@H](CC=O)C/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal?
The InChIKey is GRVRVGOGGYBTDE-FBHZIKQKSA-N. The full InChI is InChI=1S/C25H29NO4Si/c1-31(2,22-12-7-4-8-13-22)23(16-17-27)14-9-15-24(28)26-21(19-30-25(26)29)18-20-10-5-3-6-11-20/h3-13,15,17,21,23H,14,16,18-19H2,1-2H3/b15-9+/t21-,23-/m0/s1.
What are the key properties of (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal?
(E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal has a molecular weight of 435.60 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal is sourced from PubChem (CID 10972140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).