[(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

C23H26N2O4 — CID 10715639

IUPAC[(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCC(C)(C1=N[C@@H](CO)[C@H](c2ccccc2)O1)C1=N[C@@H](CO)[C@H](c2ccccc2)O1
InChIInChI=1S/C23H26N2O4/c1-23(2,21-24-17(13-26)19(28-21)15-9-5-3-6-10-15)22-25-18(14-27)20(29-22)16-11-7-4-8-12-16/h3-12,17-20,26-27H,13-14H2,1-2H3/t17-,18-,19-,20-/m0/s1
InChIKeyFZAJIHNUROSLMS-MUGJNUQGSA-N
MW394.47 g/mol
LogP3.07
Rot. Bonds6

About [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

[(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 10715639) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID10715639
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCC(C)(C1=N[C@@H](CO)[C@H](c2ccccc2)O1)C1=N[C@@H](CO)[C@H](c2ccccc2)O1
InChIInChI=1S/C23H26N2O4/c1-23(2,21-24-17(13-26)19(28-21)15-9-5-3-6-10-15)22-25-18(14-27)20(29-22)16-11-7-4-8-12-16/h3-12,17-20,26-27H,13-14H2,1-2H3/t17-,18-,19-,20-/m0/s1
InChIKeyFZAJIHNUROSLMS-MUGJNUQGSA-N
XLogP3.07
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol 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
(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
(4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
CID 719469
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394814
((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394838
((4S,5S)-2-methyl-5-phenyl(1,3-oxazolin-4-yl))methoxymethane
CID 6732872
(R,S)-BisPh-mebBox
CID 3701334
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 10715639) is [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is CC(C)(C1=N[C@@H](CO)[C@H](c2ccccc2)O1)C1=N[C@@H](CO)[C@H](c2ccccc2)O1.
What is the InChIKey of [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is FZAJIHNUROSLMS-MUGJNUQGSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-23(2,21-24-17(13-26)19(28-21)15-9-5-3-6-10-15)22-25-18(14-27)20(29-22)16-11-7-4-8-12-16/h3-12,17-20,26-27H,13-14H2,1-2H3/t17-,18-,19-,20-/m0/s1.
What are the key properties of [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 394.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-[2-[(4S,5S)-4-(hydroxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 10715639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).