2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole

C37H38N2O2 — CID 139735098

IUPAC2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(C2N=C(C(C)(C)C3=NC(c4cccc(C)c4)C(c4cccc(C)c4)O3)OC2c2cccc(C)c2)c1
InChIInChI=1S/C37H38N2O2/c1-23-11-7-15-27(19-23)31-33(29-17-9-13-25(3)21-29)40-35(38-31)37(5,6)36-39-32(28-16-8-12-24(2)20-28)34(41-36)30-18-10-14-26(4)22-30/h7-22,31-34H,1-6H3
InChIKeyJKKAIDBYVGLJBC-UHFFFAOYSA-N
MW542.72 g/mol
LogP9.07
Rot. Bonds6

About 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole

2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 139735098) has the molecular formula C37H38N2O2 and a molecular weight of 542.72 g/mol. Its IUPAC name is 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID139735098
Molecular FormulaC37H38N2O2
Molecular Weight542.72 g/mol
Exact Mass542.29
IUPAC Name2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(C2N=C(C(C)(C)C3=NC(c4cccc(C)c4)C(c4cccc(C)c4)O3)OC2c2cccc(C)c2)c1
InChIInChI=1S/C37H38N2O2/c1-23-11-7-15-27(19-23)31-33(29-17-9-13-25(3)21-29)40-35(38-31)37(5,6)36-39-32(28-16-8-12-24(2)20-28)34(41-36)30-18-10-14-26(4)22-30/h7-22,31-34H,1-6H3
InChIKeyJKKAIDBYVGLJBC-UHFFFAOYSA-N
XLogP9.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.72
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

(4S)-2-[2-[(4S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101210417
(4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 21131604
2-methyl-3-(3-methylphenyl)oxirane
CID 72951776
(4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 59135218
2-[2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 155888910
[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061536
(4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 68569177
[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol
CID 54327905
4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
CID 68569179
3-(3-methylphenyl)oxirane-2-carboxylic acid
CID 53256654
(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 90178842
1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene
CID 159237660

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 139735098) is 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1cccc(C2N=C(C(C)(C)C3=NC(c4cccc(C)c4)C(c4cccc(C)c4)O3)OC2c2cccc(C)c2)c1.
What is the InChIKey of 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JKKAIDBYVGLJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O2/c1-23-11-7-15-27(19-23)31-33(29-17-9-13-25(3)21-29)40-35(38-31)37(5,6)36-39-32(28-16-8-12-24(2)20-28)34(41-36)30-18-10-14-26(4)22-30/h7-22,31-34H,1-6H3.
What are the key properties of 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole?
2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 542.72 g/mol, XLogP of 9.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139735098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).