(4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

C20H19N3O — CID 24825526

IUPAC(4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@@H]2COC(c3cccc(Cc4cnc[nH]4)c3)=N2)cc1
InChIInChI=1S/C20H19N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h1-9,12,14,19H,10-11,13H2,(H,21,22)/t19-/m1/s1
InChIKeyCMXALEKLGZDBSD-LJQANCHMSA-N
MW317.39 g/mol
LogP3.39
Rot. Bonds5

About (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

(4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 24825526) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID24825526
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@@H]2COC(c3cccc(Cc4cnc[nH]4)c3)=N2)cc1
InChIInChI=1S/C20H19N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h1-9,12,14,19H,10-11,13H2,(H,21,22)/t19-/m1/s1
InChIKeyCMXALEKLGZDBSD-LJQANCHMSA-N
XLogP3.39
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 24825526) is (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@@H]2COC(c3cccc(Cc4cnc[nH]4)c3)=N2)cc1.
What is the InChIKey of (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CMXALEKLGZDBSD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h1-9,12,14,19H,10-11,13H2,(H,21,22)/t19-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 317.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24825526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).