(4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole

C49H46N2O2 — CID 18345471

IUPAC(4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole
SMILESCc1cccc(C2(c3cccc(C)c3)OC(CC3=N[C@H](Cc4ccccc4)C(c4cccc(C)c4)(c4cccc(C)c4)O3)=N[C@@H]2Cc2ccccc2)c1
InChIInChI=1S/C49H46N2O2/c1-34-15-11-23-40(27-34)48(41-24-12-16-35(2)28-41)44(31-38-19-7-5-8-20-38)50-46(52-48)33-47-51-45(32-39-21-9-6-10-22-39)49(53-47,42-25-13-17-36(3)29-42)43-26-14-18-37(4)30-43/h5-30,44-45H,31-33H2,1-4H3/t44-,45-/m1/s1
InChIKeyHCHZBWSDRFPZHW-GSFSDPDBSA-N
MW694.92 g/mol
LogP10.58
Rot. Bonds10

About (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole

(4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole (PubChem CID 18345471) has the molecular formula C49H46N2O2 and a molecular weight of 694.92 g/mol. Its IUPAC name is (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole
PubChem CID18345471
Molecular FormulaC49H46N2O2
Molecular Weight694.92 g/mol
Exact Mass694.36
IUPAC Name(4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole
SMILESCc1cccc(C2(c3cccc(C)c3)OC(CC3=N[C@H](Cc4ccccc4)C(c4cccc(C)c4)(c4cccc(C)c4)O3)=N[C@@H]2Cc2ccccc2)c1
InChIInChI=1S/C49H46N2O2/c1-34-15-11-23-40(27-34)48(41-24-12-16-35(2)28-41)44(31-38-19-7-5-8-20-38)50-46(52-48)33-47-51-45(32-39-21-9-6-10-22-39)49(53-47,42-25-13-17-36(3)29-42)43-26-14-18-37(4)30-43/h5-30,44-45H,31-33H2,1-4H3/t44-,45-/m1/s1
InChIKeyHCHZBWSDRFPZHW-GSFSDPDBSA-N
XLogP10.58
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-benzyl-2-[2-(4-benzyl-5,5-diphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-diphenyl-4H-1,3-oxazole
CID 134338244
3-benzyl-2,2-diphenyloxirane
CID 134205006
methyl-[(3-methylphenyl)methyl]-diphenylsilane
CID 139831843
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
9,9-bis(3-methylphenyl)xanthene
CID 23542272
(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
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
2-methyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazole
CID 141133181
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine
CID 65014530
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
CID 63410082
(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
CID 102203464

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole (CID 18345471) is (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole is Cc1cccc(C2(c3cccc(C)c3)OC(CC3=N[C@H](Cc4ccccc4)C(c4cccc(C)c4)(c4cccc(C)c4)O3)=N[C@@H]2Cc2ccccc2)c1.
What is the InChIKey of (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole?
The InChIKey is HCHZBWSDRFPZHW-GSFSDPDBSA-N. The full InChI is InChI=1S/C49H46N2O2/c1-34-15-11-23-40(27-34)48(41-24-12-16-35(2)28-41)44(31-38-19-7-5-8-20-38)50-46(52-48)33-47-51-45(32-39-21-9-6-10-22-39)49(53-47,42-25-13-17-36(3)29-42)43-26-14-18-37(4)30-43/h5-30,44-45H,31-33H2,1-4H3/t44-,45-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole?
(4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole has a molecular weight of 694.92 g/mol, XLogP of 10.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole is sourced from PubChem (CID 18345471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).