N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole

C23H30N2O — CID 66929478

IUPACN-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole
SMILESCCc1cc(-c2nocc2-c2ccccc2)cc(CC)c1CC.CNC
InChIInChI=1S/C21H23NO.C2H7N/c1-4-15-12-18(13-16(5-2)19(15)6-3)21-20(14-23-22-21)17-10-8-7-9-11-17;1-3-2/h7-14H,4-6H2,1-3H3;3H,1-2H3
InChIKeyLRTQIXYFFBQWDW-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.53
Rot. Bonds5

About N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole

N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole (PubChem CID 66929478) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole.

Molecular Properties

Compound NameN-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole
PubChem CID66929478
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole
SMILESCCc1cc(-c2nocc2-c2ccccc2)cc(CC)c1CC.CNC
InChIInChI=1S/C21H23NO.C2H7N/c1-4-15-12-18(13-16(5-2)19(15)6-3)21-20(14-23-22-21)17-10-8-7-9-11-17;1-3-2/h7-14H,4-6H2,1-3H3;3H,1-2H3
InChIKeyLRTQIXYFFBQWDW-UHFFFAOYSA-N
XLogP5.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole?
The IUPAC name of N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole (CID 66929478) is N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole.
What is the SMILES notation for N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole?
The canonical SMILES for N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole is CCc1cc(-c2nocc2-c2ccccc2)cc(CC)c1CC.CNC.
What is the InChIKey of N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole?
The InChIKey is LRTQIXYFFBQWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.C2H7N/c1-4-15-12-18(13-16(5-2)19(15)6-3)21-20(14-23-22-21)17-10-8-7-9-11-17;1-3-2/h7-14H,4-6H2,1-3H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole?
N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole has a molecular weight of 350.51 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;4-phenyl-3-(3,4,5-triethylphenyl)-1,2-oxazole is sourced from PubChem (CID 66929478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).