5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C17H14ClN3O — CID 58077055

IUPAC5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESClc1ccc(N2CCc3oc(-c4ccccn4)nc3C2)cc1
InChIInChI=1S/C17H14ClN3O/c18-12-4-6-13(7-5-12)21-10-8-16-15(11-21)20-17(22-16)14-3-1-2-9-19-14/h1-7,9H,8,10-11H2
InChIKeyMUEKEGQCJNNOGO-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.95
Rot. Bonds2

About 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 58077055) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID58077055
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESClc1ccc(N2CCc3oc(-c4ccccn4)nc3C2)cc1
InChIInChI=1S/C17H14ClN3O/c18-12-4-6-13(7-5-12)21-10-8-16-15(11-21)20-17(22-16)14-3-1-2-9-19-14/h1-7,9H,8,10-11H2
InChIKeyMUEKEGQCJNNOGO-UHFFFAOYSA-N
XLogP3.95
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 58077055) is 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Clc1ccc(N2CCc3oc(-c4ccccn4)nc3C2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is MUEKEGQCJNNOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-12-4-6-13(7-5-12)21-10-8-16-15(11-21)20-17(22-16)14-3-1-2-9-19-14/h1-7,9H,8,10-11H2.
What are the key properties of 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 311.77 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 58077055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).