(4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole

C22H24N2O4 — CID 73293281

IUPAC(4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(C2=N[C@@H](COC)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-25-13-17-19(15-9-5-3-6-10-15)27-21(23-17)22-24-18(14-26-2)20(28-22)16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17-,18-,19-,20-/m0/s1
InChIKeyOQUAJRWVDZXEIV-MUGJNUQGSA-N
MW380.44 g/mol
LogP3.36
Rot. Bonds7

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

(4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 73293281) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID73293281
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(C2=N[C@@H](COC)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-25-13-17-19(15-9-5-3-6-10-15)27-21(23-17)22-24-18(14-26-2)20(28-22)16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17-,18-,19-,20-/m0/s1
InChIKeyOQUAJRWVDZXEIV-MUGJNUQGSA-N
XLogP3.36
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole with MolForge

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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)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
[(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
Acetamidine, N-cyclohexyl-2-ethoxy-2-phenyl-
CID 37124
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate
CID 56673742
(4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
CID 719469
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
[(2R,3S)-2-[(4S,5R)-2-benzyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 56663357

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole (CID 73293281) is (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole is COC[C@@H]1N=C(C2=N[C@@H](COC)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is OQUAJRWVDZXEIV-MUGJNUQGSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-25-13-17-19(15-9-5-3-6-10-15)27-21(23-17)22-24-18(14-26-2)20(28-22)16-11-7-4-8-12-16/h3-12,17-20H,13-14H2,1-2H3/t17-,18-,19-,20-/m0/s1.
What are the key properties of (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 380.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(methoxymethyl)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 73293281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).