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

C23H26N2O2 — CID 134904827

IUPAC(4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1N=C(C(C)(C)C2=N[C@H](C)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-15-19(17-11-7-5-8-12-17)26-21(24-15)23(3,4)22-25-16(2)20(27-22)18-13-9-6-10-14-18/h5-16,19-20H,1-4H3/t15-,16-,19-,20-/m1/s1
InChIKeyXQAPUTJVKTVLQW-XNFNUYLZSA-N
MW362.47 g/mol
LogP5.13
Rot. Bonds4

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

(4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 134904827) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID134904827
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1N=C(C(C)(C)C2=N[C@H](C)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-15-19(17-11-7-5-8-12-17)26-21(24-15)23(3,4)22-25-16(2)20(27-22)18-13-9-6-10-14-18/h5-16,19-20H,1-4H3/t15-,16-,19-,20-/m1/s1
InChIKeyXQAPUTJVKTVLQW-XNFNUYLZSA-N
XLogP5.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-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)-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
Acetamidine, N-cyclohexyl-2-ethoxy-2-phenyl-
CID 37124
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-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,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole (CID 134904827) is (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole is C[C@H]1N=C(C(C)(C)C2=N[C@H](C)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is XQAPUTJVKTVLQW-XNFNUYLZSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-19(17-11-7-5-8-12-17)26-21(24-15)23(3,4)22-25-16(2)20(27-22)18-13-9-6-10-14-18/h5-16,19-20H,1-4H3/t15-,16-,19-,20-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole?
(4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 362.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134904827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).