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

C23H26N2O2 — CID 21131604

IUPAC(4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cccc([C@H]2N=C(CC3=N[C@H](c4cccc(C)c4)C(C)O3)OC2C)c1
InChIInChI=1S/C23H26N2O2/c1-14-7-5-9-18(11-14)22-16(3)26-20(24-22)13-21-25-23(17(4)27-21)19-10-6-8-15(2)12-19/h5-12,16-17,22-23H,13H2,1-4H3/t16?,17?,22-,23-/m0/s1
InChIKeyKXGCCXWCRJLSLC-HFWVJFOYSA-N
MW362.47 g/mol
LogP5.11
Rot. Bonds4

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

(4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 21131604) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID21131604
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cccc([C@H]2N=C(CC3=N[C@H](c4cccc(C)c4)C(C)O3)OC2C)c1
InChIInChI=1S/C23H26N2O2/c1-14-7-5-9-18(11-14)22-16(3)26-20(24-22)13-21-25-23(17(4)27-21)19-10-6-8-15(2)12-19/h5-12,16-17,22-23H,13H2,1-4H3/t16?,17?,22-,23-/m0/s1
InChIKeyKXGCCXWCRJLSLC-HFWVJFOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 21131604) is (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1cccc([C@H]2N=C(CC3=N[C@H](c4cccc(C)c4)C(C)O3)OC2C)c1.
What is the InChIKey of (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is KXGCCXWCRJLSLC-HFWVJFOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-14-7-5-9-18(11-14)22-16(3)26-20(24-22)13-21-25-23(17(4)27-21)19-10-6-8-15(2)12-19/h5-12,16-17,22-23H,13H2,1-4H3/t16?,17?,22-,23-/m0/s1.
What are the key properties of (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole?
(4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 362.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-methyl-2-[[(4R)-5-methyl-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 21131604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).