[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium

C19H21CrNO — CID 134872179

IUPAC[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
SMILESCC1(C)OC[C@H](c2ccccc2)N1C(=[Cr])Cc1ccccc1
InChIInChI=1S/C19H21NO.Cr/c1-19(2)20(14-13-16-9-5-3-6-10-16)18(15-21-19)17-11-7-4-8-12-17;/h3-12,18H,13,15H2,1-2H3;/t18-;/m1./s1
InChIKeyTZEOZFCMLHYTRA-GMUIIQOCSA-N
MW331.38 g/mol
LogP3.72
Rot. Bonds4

About [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium

[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium (PubChem CID 134872179) has the molecular formula C19H21CrNO and a molecular weight of 331.38 g/mol. Its IUPAC name is [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium.

Molecular Properties

Compound Name[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
PubChem CID134872179
Molecular FormulaC19H21CrNO
Molecular Weight331.38 g/mol
Exact Mass331.10
IUPAC Name[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
SMILESCC1(C)OC[C@H](c2ccccc2)N1C(=[Cr])Cc1ccccc1
InChIInChI=1S/C19H21NO.Cr/c1-19(2)20(14-13-16-9-5-3-6-10-16)18(15-21-19)17-11-7-4-8-12-17;/h3-12,18H,13,15H2,1-2H3;/t18-;/m1./s1
InChIKeyTZEOZFCMLHYTRA-GMUIIQOCSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium?
The IUPAC name of [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium (CID 134872179) is [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium.
What is the SMILES notation for [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium?
The canonical SMILES for [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium is CC1(C)OC[C@H](c2ccccc2)N1C(=[Cr])Cc1ccccc1.
What is the InChIKey of [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium?
The InChIKey is TZEOZFCMLHYTRA-GMUIIQOCSA-N. The full InChI is InChI=1S/C19H21NO.Cr/c1-19(2)20(14-13-16-9-5-3-6-10-16)18(15-21-19)17-11-7-4-8-12-17;/h3-12,18H,13,15H2,1-2H3;/t18-;/m1./s1.
What are the key properties of [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium?
[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium has a molecular weight of 331.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium is sourced from PubChem (CID 134872179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).