dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate

C26H22N2O5 — CID 11647908

IUPACdimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2c3ccccc3N(c3ccccc3)C(c3ccccc3)N2O1
InChIInChI=1S/C26H22N2O5/c1-31-25(29)21-22-19-15-9-10-16-20(19)27(18-13-7-4-8-14-18)24(17-11-5-3-6-12-17)28(22)33-23(21)26(30)32-2/h3-16,22,24H,1-2H3
InChIKeyMJZPVIQCDQJAJD-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.43
Rot. Bonds4

About dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate

dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate (PubChem CID 11647908) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate
PubChem CID11647908
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Namedimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2c3ccccc3N(c3ccccc3)C(c3ccccc3)N2O1
InChIInChI=1S/C26H22N2O5/c1-31-25(29)21-22-19-15-9-10-16-20(19)27(18-13-7-4-8-14-18)24(17-11-5-3-6-12-17)28(22)33-23(21)26(30)32-2/h3-16,22,24H,1-2H3
InChIKeyMJZPVIQCDQJAJD-UHFFFAOYSA-N
XLogP4.43
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate with MolForge

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Related Compounds

methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
dimethyl (3S)-3-(3-bromophenyl)-2-phenyl-3H-1,2-oxazole-4,5-dicarboxylate
CID 56964186
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
CID 613667
methyl 2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
CID 66572364
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
CID 45064251
dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 9499901
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722
dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate
CID 101426959
methyl (3S,6S)-3-phenyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaene-5-carboxylate
CID 46895592
methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate
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Frequently Asked Questions

What is the IUPAC name of dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate?
The IUPAC name of dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate (CID 11647908) is dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate?
The canonical SMILES for dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2c3ccccc3N(c3ccccc3)C(c3ccccc3)N2O1.
What is the InChIKey of dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate?
The InChIKey is MJZPVIQCDQJAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-31-25(29)21-22-19-15-9-10-16-20(19)27(18-13-7-4-8-14-18)24(17-11-5-3-6-12-17)28(22)33-23(21)26(30)32-2/h3-16,22,24H,1-2H3.
What are the key properties of dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate?
dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate has a molecular weight of 442.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,6-diphenyl-5,10b-dihydro-[1,2]oxazolo[2,3-c]quinazoline-1,2-dicarboxylate is sourced from PubChem (CID 11647908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).