(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole

C19H21NO2 — CID 134871096

IUPAC(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(CCc2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-21-14-17-19(16-10-6-3-7-11-16)22-18(20-17)13-12-15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3/t17-,19-/m0/s1
InChIKeyRTKJINORUAHBOV-HKUYNNGSSA-N
MW295.38 g/mol
LogP3.80
Rot. Bonds6

About (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole

(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134871096) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID134871096
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(CCc2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-21-14-17-19(16-10-6-3-7-11-16)22-18(20-17)13-12-15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3/t17-,19-/m0/s1
InChIKeyRTKJINORUAHBOV-HKUYNNGSSA-N
XLogP3.80
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
2,4-Diphenyl-1,3-oxazoline
CID 10889524
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
Acetamidine, N-cyclohexyl-2-ethoxy-2-phenyl-
CID 37124
Acetamidine, 2-ethoxy-N-isopropyl-2-phenyl-
CID 39457
N-Benzyl(ethoxy)phenylethanimidamide
CID 47199
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole (CID 134871096) is (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole is COC[C@@H]1N=C(CCc2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RTKJINORUAHBOV-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H21NO2/c1-21-14-17-19(16-10-6-3-7-11-16)22-18(20-17)13-12-15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3/t17-,19-/m0/s1.
What are the key properties of (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 295.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(methoxymethyl)-5-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134871096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).