(4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole

C15H12Cl2N2O — CID 46929408

IUPAC(4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESClc1cc(C2=N[C@H](Cc3ccccc3)CO2)cnc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-13-7-11(8-18-14(13)17)15-19-12(9-20-15)6-10-4-2-1-3-5-10/h1-5,7-8,12H,6,9H2/t12-/m1/s1
InChIKeySNTZJMLUDAUMJR-GFCCVEGCSA-N
MW307.18 g/mol
LogP3.78
Rot. Bonds3

About (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole

(4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole (PubChem CID 46929408) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole
PubChem CID46929408
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name(4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESClc1cc(C2=N[C@H](Cc3ccccc3)CO2)cnc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-13-7-11(8-18-14(13)17)15-19-12(9-20-15)6-10-4-2-1-3-5-10/h1-5,7-8,12H,6,9H2/t12-/m1/s1
InChIKeySNTZJMLUDAUMJR-GFCCVEGCSA-N
XLogP3.78
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole (CID 46929408) is (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole is Clc1cc(C2=N[C@H](Cc3ccccc3)CO2)cnc1Cl.
What is the InChIKey of (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SNTZJMLUDAUMJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-13-7-11(8-18-14(13)17)15-19-12(9-20-15)6-10-4-2-1-3-5-10/h1-5,7-8,12H,6,9H2/t12-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole?
(4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 307.18 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 46929408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).