2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole

C15H15ClN2O — CID 56675982

IUPAC2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole
SMILESClc1ccccc1-c1nc(CN2CC=CCC2)co1
InChIInChI=1S/C15H15ClN2O/c16-14-7-3-2-6-13(14)15-17-12(11-19-15)10-18-8-4-1-5-9-18/h1-4,6-7,11H,5,8-10H2
InChIKeyVOSPURYBDWUVHY-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.76
Rot. Bonds3

About 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole

2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole (PubChem CID 56675982) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole
PubChem CID56675982
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole
SMILESClc1ccccc1-c1nc(CN2CC=CCC2)co1
InChIInChI=1S/C15H15ClN2O/c16-14-7-3-2-6-13(14)15-17-12(11-19-15)10-18-8-4-1-5-9-18/h1-4,6-7,11H,5,8-10H2
InChIKeyVOSPURYBDWUVHY-UHFFFAOYSA-N
XLogP3.76
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole (CID 56675982) is 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole is Clc1ccccc1-c1nc(CN2CC=CCC2)co1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole?
The InChIKey is VOSPURYBDWUVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-14-7-3-2-6-13(14)15-17-12(11-19-15)10-18-8-4-1-5-9-18/h1-4,6-7,11H,5,8-10H2.
What are the key properties of 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole?
2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole has a molecular weight of 274.75 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 56675982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).