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

C44H48N4O4 — CID 159403755

IUPAC2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cccc(C2=NC(C)(C)CO2)c1-c1c(C)cccc1C1=NC(C)(C)CO1.Cc1cccc(C2=NCCO2)c1-c1c(C)cccc1C1=NCCO1
InChIInChI=1S/C24H28N2O2.C20H20N2O2/c1-15-9-7-11-17(21-25-23(3,4)13-27-21)19(15)20-16(2)10-8-12-18(20)22-26-24(5,6)14-28-22;1-13-5-3-7-15(19-21-9-11-23-19)17(13)18-14(2)6-4-8-16(18)20-22-10-12-24-20/h7-12H,13-14H2,1-6H3;3-8H,9-12H2,1-2H3
InChIKeyLNRNHTZSNIKDKY-UHFFFAOYSA-N
MW696.89 g/mol
LogP8.61
Rot. Bonds6

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

2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 159403755) has the molecular formula C44H48N4O4 and a molecular weight of 696.89 g/mol. Its IUPAC name is 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID159403755
Molecular FormulaC44H48N4O4
Molecular Weight696.89 g/mol
Exact Mass696.37
IUPAC Name2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cccc(C2=NC(C)(C)CO2)c1-c1c(C)cccc1C1=NC(C)(C)CO1.Cc1cccc(C2=NCCO2)c1-c1c(C)cccc1C1=NCCO1
InChIInChI=1S/C24H28N2O2.C20H20N2O2/c1-15-9-7-11-17(21-25-23(3,4)13-27-21)19(15)20-16(2)10-8-12-18(20)22-26-24(5,6)14-28-22;1-13-5-3-7-15(19-21-9-11-23-19)17(13)18-14(2)6-4-8-16(18)20-22-10-12-24-20/h7-12H,13-14H2,1-6H3;3-8H,9-12H2,1-2H3
InChIKeyLNRNHTZSNIKDKY-UHFFFAOYSA-N
XLogP8.61
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.89
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 159403755) is 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1cccc(C2=NC(C)(C)CO2)c1-c1c(C)cccc1C1=NC(C)(C)CO1.Cc1cccc(C2=NCCO2)c1-c1c(C)cccc1C1=NCCO1.
What is the InChIKey of 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is LNRNHTZSNIKDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2.C20H20N2O2/c1-15-9-7-11-17(21-25-23(3,4)13-27-21)19(15)20-16(2)10-8-12-18(20)22-26-24(5,6)14-28-22;1-13-5-3-7-15(19-21-9-11-23-19)17(13)18-14(2)6-4-8-16(18)20-22-10-12-24-20/h7-12H,13-14H2,1-6H3;3-8H,9-12H2,1-2H3.
What are the key properties of 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 696.89 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 159403755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).