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

C30H36N4O4 — CID 67994433

IUPAC2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2)=N1.CC1COC(c2cccc(C3=NC(C)CO3)c2)=N1
InChIInChI=1S/C16H20N2O2.C14H16N2O2/c1-15(2)9-19-13(17-15)11-6-5-7-12(8-11)14-18-16(3,4)10-20-14;1-9-7-17-13(15-9)11-4-3-5-12(6-11)14-16-10(2)8-18-14/h5-8H,9-10H2,1-4H3;3-6,9-10H,7-8H2,1-2H3
InChIKeyKRJVRPDXKVKBGQ-UHFFFAOYSA-N
MW516.64 g/mol
LogP4.81
Rot. Bonds4

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

2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 67994433) has the molecular formula C30H36N4O4 and a molecular weight of 516.64 g/mol. Its IUPAC name is 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID67994433
Molecular FormulaC30H36N4O4
Molecular Weight516.64 g/mol
Exact Mass516.27
IUPAC Name2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2)=N1.CC1COC(c2cccc(C3=NC(C)CO3)c2)=N1
InChIInChI=1S/C16H20N2O2.C14H16N2O2/c1-15(2)9-19-13(17-15)11-6-5-7-12(8-11)14-18-16(3,4)10-20-14;1-9-7-17-13(15-9)11-4-3-5-12(6-11)14-16-10(2)8-18-14/h5-8H,9-10H2,1-4H3;3-6,9-10H,7-8H2,1-2H3
InChIKeyKRJVRPDXKVKBGQ-UHFFFAOYSA-N
XLogP4.81
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (CID 67994433) is 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2)=N1.CC1COC(c2cccc(C3=NC(C)CO3)c2)=N1.
What is the InChIKey of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is KRJVRPDXKVKBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C14H16N2O2/c1-15(2)9-19-13(17-15)11-6-5-7-12(8-11)14-18-16(3,4)10-20-14;1-9-7-17-13(15-9)11-4-3-5-12(6-11)14-16-10(2)8-18-14/h5-8H,9-10H2,1-4H3;3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 516.64 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole;4-methyl-2-[3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67994433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).