(4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C32H28N2O2 — CID 10648130

IUPAC(4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(C2=N[C@@H](c3ccccc3)CO2)c1-c1c(C)cccc1C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C32H28N2O2/c1-21-11-9-17-25(31-33-27(19-35-31)23-13-5-3-6-14-23)29(21)30-22(2)12-10-18-26(30)32-34-28(20-36-32)24-15-7-4-8-16-24/h3-18,27-28H,19-20H2,1-2H3/t27-,28-/m1/s1
InChIKeyMSSGUBIYVMFEBY-VSGBNLITSA-N
MW472.59 g/mol
LogP7.01
Rot. Bonds5

About (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10648130) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10648130
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name(4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(C2=N[C@@H](c3ccccc3)CO2)c1-c1c(C)cccc1C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C32H28N2O2/c1-21-11-9-17-25(31-33-27(19-35-31)23-13-5-3-6-14-23)29(21)30-22(2)12-10-18-26(30)32-34-28(20-36-32)24-15-7-4-8-16-24/h3-18,27-28H,19-20H2,1-2H3/t27-,28-/m1/s1
InChIKeyMSSGUBIYVMFEBY-VSGBNLITSA-N
XLogP7.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2,6-Difluorophenyl)-4-(2-methyl-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008036
(R)-7,7-Bis((4S)-(phenyl)oxazol-2-yl))-2,2,3,3-tetrahydro-1,1-spirobiindane
CID 16655517
4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
(R,S)-BisPh-mebBox
CID 3701334
(2R)-2-Phenyl-4-((1S)-7'-((4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-2,2',3,3'-tetrahydro-1,1'-spirobi(inden)-7-yl)-2,5-dihydro-1,3-oxazole
CID 52921690
(4S)-2-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102139549
(s)-2-(2'-(Bis(4-(trifluoromethyl)phenyl)phosphoryl)biphenyl-2-yl)-4-phenyl-4,5-dihydrooxazole
CID 129822647
(S)-2-(2'-(bis(4-(trifluoromethyl)phenyl)phosphanyl)-[1,1'-biphenyl]-2-yl)-4-phenyl-4,5-dihydrooxazole
CID 129822712

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 10648130) is (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole is Cc1cccc(C2=N[C@@H](c3ccccc3)CO2)c1-c1c(C)cccc1C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is MSSGUBIYVMFEBY-VSGBNLITSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-21-11-9-17-25(31-33-27(19-35-31)23-13-5-3-6-14-23)29(21)30-22(2)12-10-18-26(30)32-34-28(20-36-32)24-15-7-4-8-16-24/h3-18,27-28H,19-20H2,1-2H3/t27-,28-/m1/s1.
What are the key properties of (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 472.59 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[3-methyl-2-[2-methyl-6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10648130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).