[(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium

C21H23CrNO2 — CID 15196241

IUPAC[(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(c2ccccc2)ON(C(C)(C)C)C1c1ccccc1
InChIInChI=1S/C21H23NO2.Cr/c1-21(2,3)22-19(16-11-7-5-8-12-16)18(15-23-4)20(24-22)17-13-9-6-10-14-17;/h5-14,19H,1-4H3;
InChIKeyCRCKCGCRSAKTOP-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.51
Rot. Bonds4

About [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium

[(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium (PubChem CID 15196241) has the molecular formula C21H23CrNO2 and a molecular weight of 373.42 g/mol. Its IUPAC name is [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium.

Molecular Properties

Compound Name[(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium
PubChem CID15196241
Molecular FormulaC21H23CrNO2
Molecular Weight373.42 g/mol
Exact Mass373.11
IUPAC Name[(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(c2ccccc2)ON(C(C)(C)C)C1c1ccccc1
InChIInChI=1S/C21H23NO2.Cr/c1-21(2,3)22-19(16-11-7-5-8-12-16)18(15-23-4)20(24-22)17-13-9-6-10-14-17;/h5-14,19H,1-4H3;
InChIKeyCRCKCGCRSAKTOP-UHFFFAOYSA-N
XLogP4.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[methoxy-(1-methyl-2-phenyl-2H-quinolin-3-yl)methylidene]chromium
CID 135003278
2-tert-butyl-3-phenyloxaziridine;ethane
CID 91476146
2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine
CID 134873544
tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate
CID 135031330
2-O-tert-butyl 4-O-ethyl 5-methyl-3-phenyl-3H-1,2-oxazole-2,4-dicarboxylate
CID 135032423
tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate
CID 24977249
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
CID 141389257
tert-butyl (2S)-2,4,5-triphenyl-2,3-dihydropyrrole-1-carboxylate
CID 102080261
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
methyl 1-(2,2-dimethylpropanoyl)-2-phenyl-2H-pyridine-3-carboxylate
CID 10732911
1-O-tert-butyl 2-O-methyl (2R,5S)-5-phenylpyrrolidine-1,2-dicarboxylate
CID 54216413

Frequently Asked Questions

What is the IUPAC name of [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium?
The IUPAC name of [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium (CID 15196241) is [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium.
What is the SMILES notation for [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium?
The canonical SMILES for [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium is COC(=[Cr])C1=C(c2ccccc2)ON(C(C)(C)C)C1c1ccccc1.
What is the InChIKey of [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium?
The InChIKey is CRCKCGCRSAKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2.Cr/c1-21(2,3)22-19(16-11-7-5-8-12-16)18(15-23-4)20(24-22)17-13-9-6-10-14-17;/h5-14,19H,1-4H3;.
What are the key properties of [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium?
[(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium has a molecular weight of 373.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium is sourced from PubChem (CID 15196241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).