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

C20H21N3O — CID 45239587

IUPAC3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(Cc1cccnc1)N1CCc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C20H21N3O/c1-15(12-16-6-5-10-21-13-16)23-11-9-19-18(14-23)20(22-24-19)17-7-3-2-4-8-17/h2-8,10,13,15H,9,11-12,14H2,1H3
InChIKeyKMFIUUCJYUGYDI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.73
Rot. Bonds4

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

3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 45239587) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID45239587
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(Cc1cccnc1)N1CCc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C20H21N3O/c1-15(12-16-6-5-10-21-13-16)23-11-9-19-18(14-23)20(22-24-19)17-7-3-2-4-8-17/h2-8,10,13,15H,9,11-12,14H2,1H3
InChIKeyKMFIUUCJYUGYDI-UHFFFAOYSA-N
XLogP3.73
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 45239587) is 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(Cc1cccnc1)N1CCc2onc(-c3ccccc3)c2C1.
What is the InChIKey of 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is KMFIUUCJYUGYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15(12-16-6-5-10-21-13-16)23-11-9-19-18(14-23)20(22-24-19)17-7-3-2-4-8-17/h2-8,10,13,15H,9,11-12,14H2,1H3.
What are the key properties of 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 319.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 45239587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).