1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium

C13H17CrNO — CID 11133153

IUPAC1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
SMILESC[13C](=[Cr])N1[C@@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C13H17NO.Cr/c1-4-14-12(10-15-13(14,2)3)11-8-6-5-7-9-11;/h5-9,12H,10H2,1-3H3;/t12-;/m1./s1/i4+1;
InChIKeyZWALFUTWIILPON-BXKIPNLTSA-N
MW256.27 g/mol
LogP2.49
Rot. Bonds2

About 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium

1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium (PubChem CID 11133153) has the molecular formula C13H17CrNO and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
PubChem CID11133153
Molecular FormulaC13H17CrNO
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC Name1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
SMILESC[13C](=[Cr])N1[C@@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C13H17NO.Cr/c1-4-14-12(10-15-13(14,2)3)11-8-6-5-7-9-11;/h5-9,12H,10H2,1-3H3;/t12-;/m1./s1/i4+1;
InChIKeyZWALFUTWIILPON-BXKIPNLTSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]ethylidenechromium
CID 10927351
[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
CID 134872179
[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone
CID 11471355
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium
CID 135077135
[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
CID 135076519
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
CID 71352528
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
(3S,8aR)-8a-methyl-3-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 10512968
tert-butyl (4R)-2,2-dimethyl-4-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-oxazolidine-3-carboxylate
CID 10427737
phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
CID 10614697
tert-butyl (4S)-4-(4-iodophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67151646
tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 164875432

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium?
The IUPAC name of 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium (CID 11133153) is 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium is C[13C](=[Cr])N1[C@@H](c2ccccc2)COC1(C)C.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium?
The InChIKey is ZWALFUTWIILPON-BXKIPNLTSA-N. The full InChI is InChI=1S/C13H17NO.Cr/c1-4-14-12(10-15-13(14,2)3)11-8-6-5-7-9-11;/h5-9,12H,10H2,1-3H3;/t12-;/m1./s1/i4+1;.
What are the key properties of 1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium?
1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium has a molecular weight of 256.27 g/mol, XLogP of 2.49, 2 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](113C)ethylidenechromium is sourced from PubChem (CID 11133153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).