[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium

C19H27CrNO3 — CID 135076519

IUPAC[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
SMILESCC(C)(C)OC(=O)CCC(=[Cr])N1[C@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C19H27NO3.Cr/c1-18(2,3)23-17(21)12-9-13-20-16(14-22-19(20,4)5)15-10-7-6-8-11-15;/h6-8,10-11,16H,9,12,14H2,1-5H3;/t16-;/m0./s1
InChIKeyABXDPMKSXRVKLY-NTISSMGPSA-N
MW369.43 g/mol
LogP3.59
Rot. Bonds5

About [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium

[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium (PubChem CID 135076519) has the molecular formula C19H27CrNO3 and a molecular weight of 369.43 g/mol. Its IUPAC name is [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium.

Molecular Properties

Compound Name[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
PubChem CID135076519
Molecular FormulaC19H27CrNO3
Molecular Weight369.43 g/mol
Exact Mass369.14
IUPAC Name[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
SMILESCC(C)(C)OC(=O)CCC(=[Cr])N1[C@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C19H27NO3.Cr/c1-18(2,3)23-17(21)12-9-13-20-16(14-22-19(20,4)5)15-10-7-6-8-11-15;/h6-8,10-11,16H,9,12,14H2,1-5H3;/t16-;/m0./s1
InChIKeyABXDPMKSXRVKLY-NTISSMGPSA-N
XLogP3.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
CID 134872179
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
CID 11133153
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium
CID 135077135
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
tert-butyl (4S)-4-(4-hydroxyphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 130408299
[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone
CID 11471355
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
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]ethylidenechromium
CID 10927351
benzyl (4S)-2,2-dimethyl-4-[4-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]phenyl]-1,3-oxazolidine-3-carboxylate
CID 178002813
methyl (2S)-2-[[(2R)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-4-methylpentanoate
CID 10390874

Frequently Asked Questions

What is the IUPAC name of [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium?
The IUPAC name of [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium (CID 135076519) is [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium.
What is the SMILES notation for [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium?
The canonical SMILES for [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium is CC(C)(C)OC(=O)CCC(=[Cr])N1[C@H](c2ccccc2)COC1(C)C.
What is the InChIKey of [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium?
The InChIKey is ABXDPMKSXRVKLY-NTISSMGPSA-N. The full InChI is InChI=1S/C19H27NO3.Cr/c1-18(2,3)23-17(21)12-9-13-20-16(14-22-19(20,4)5)15-10-7-6-8-11-15;/h6-8,10-11,16H,9,12,14H2,1-5H3;/t16-;/m0./s1.
What are the key properties of [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium?
[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium has a molecular weight of 369.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium is sourced from PubChem (CID 135076519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).