4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole

C22H29NO2 — CID 19793861

IUPAC4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOCC1N=C(C2(C)C=CC(CC(C)C)=CC2)OC1c1ccccc1
InChIInChI=1S/C22H29NO2/c1-16(2)14-17-10-12-22(3,13-11-17)21-23-19(15-24-4)20(25-21)18-8-6-5-7-9-18/h5-12,16,19-20H,13-15H2,1-4H3
InChIKeyFTSRIBQFUVOGSI-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.11
Rot. Bonds6

About 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole

4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 19793861) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID19793861
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOCC1N=C(C2(C)C=CC(CC(C)C)=CC2)OC1c1ccccc1
InChIInChI=1S/C22H29NO2/c1-16(2)14-17-10-12-22(3,13-11-17)21-23-19(15-24-4)20(25-21)18-8-6-5-7-9-18/h5-12,16,19-20H,13-15H2,1-4H3
InChIKeyFTSRIBQFUVOGSI-UHFFFAOYSA-N
XLogP5.11
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole (CID 19793861) is 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole is COCC1N=C(C2(C)C=CC(CC(C)C)=CC2)OC1c1ccccc1.
What is the InChIKey of 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is FTSRIBQFUVOGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-16(2)14-17-10-12-22(3,13-11-17)21-23-19(15-24-4)20(25-21)18-8-6-5-7-9-18/h5-12,16,19-20H,13-15H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 339.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[1-methyl-4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19793861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).