2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole

C24H28N2O2 — CID 11057901

IUPAC2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cccc(-c2cccc(C)c2C2=NC(C)(C)CO2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C24H28N2O2/c1-15-9-7-11-17(19(15)21-25-23(3,4)13-27-21)18-12-8-10-16(2)20(18)22-26-24(5,6)14-28-22/h7-12H,13-14H2,1-6H3
InChIKeyCIZVZGKVPCTKKD-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.08
Rot. Bonds3

About 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11057901) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11057901
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cccc(-c2cccc(C)c2C2=NC(C)(C)CO2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C24H28N2O2/c1-15-9-7-11-17(19(15)21-25-23(3,4)13-27-21)18-12-8-10-16(2)20(18)22-26-24(5,6)14-28-22/h7-12H,13-14H2,1-6H3
InChIKeyCIZVZGKVPCTKKD-UHFFFAOYSA-N
XLogP5.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
1,3-Bis((r)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 24761720
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
CID 395337
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 3718820
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
2,2'-(1,2-Phenylene)bis(4,5-dihydro-1,3-oxazole)
CID 19354103
4,4-dimethyl-2-[2-phenyl-5-(trifluoromethyl)phenyl]-5H-1,3-oxazole
CID 70232877
2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 293474
4,4-Dimethyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 10487889
1,3-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 11317842

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 11057901) is 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1cccc(-c2cccc(C)c2C2=NC(C)(C)CO2)c1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is CIZVZGKVPCTKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-15-9-7-11-17(19(15)21-25-23(3,4)13-27-21)18-12-8-10-16(2)20(18)22-26-24(5,6)14-28-22/h7-12H,13-14H2,1-6H3.
What are the key properties of 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 376.50 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11057901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).