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

C19H21NO2 — CID 151922628

IUPAC4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOCc1ccc(CC2N=C(C)OC2c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-14-20-18(19(22-14)17-6-4-3-5-7-17)12-15-8-10-16(11-9-15)13-21-2/h3-11,18-19H,12-13H2,1-2H3
InChIKeySXBQXJZLAVYSEX-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.93
Rot. Bonds5

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

4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 151922628) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID151922628
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOCc1ccc(CC2N=C(C)OC2c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-14-20-18(19(22-14)17-6-4-3-5-7-17)12-15-8-10-16(11-9-15)13-21-2/h3-11,18-19H,12-13H2,1-2H3
InChIKeySXBQXJZLAVYSEX-UHFFFAOYSA-N
XLogP3.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethylamine, N,N-diethyl-2-(phenyl-(p-tolyl)methoxy)-, hydrochloride
CID 103792
(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
(R)-Neobenodine
CID 11097588
N,N-Dimethyl-2-[(S)-(4-methylphenyl)phenylmethoxy]ethanamine
CID 11437142
US9963444, Example 30
CID 118524725
US9963444, Example 28
CID 118524746
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
[(2R,3S)-6-oxo-2-[(4R,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate
CID 56666791
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 151922628) is 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is COCc1ccc(CC2N=C(C)OC2c2ccccc2)cc1.
What is the InChIKey of 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SXBQXJZLAVYSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-20-18(19(22-14)17-6-4-3-5-7-17)12-15-8-10-16(11-9-15)13-21-2/h3-11,18-19H,12-13H2,1-2H3.
What are the key properties of 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 295.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 151922628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).