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

C17H21N3O2 — CID 169410942

IUPAC1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one
SMILESCC(C)c1nc2c(o1)CCN(C(=O)CCc1ccccn1)C2
InChIInChI=1S/C17H21N3O2/c1-12(2)17-19-14-11-20(10-8-15(14)22-17)16(21)7-6-13-5-3-4-9-18-13/h3-5,9,12H,6-8,10-11H2,1-2H3
InChIKeyXNQNGTBVOKJDMW-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.71
Rot. Bonds4

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

1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one (PubChem CID 169410942) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one
PubChem CID169410942
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one
SMILESCC(C)c1nc2c(o1)CCN(C(=O)CCc1ccccn1)C2
InChIInChI=1S/C17H21N3O2/c1-12(2)17-19-14-11-20(10-8-15(14)22-17)16(21)7-6-13-5-3-4-9-18-13/h3-5,9,12H,6-8,10-11H2,1-2H3
InChIKeyXNQNGTBVOKJDMW-UHFFFAOYSA-N
XLogP2.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one (CID 169410942) is 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one is CC(C)c1nc2c(o1)CCN(C(=O)CCc1ccccn1)C2.
What is the InChIKey of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is XNQNGTBVOKJDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)17-19-14-11-20(10-8-15(14)22-17)16(21)7-6-13-5-3-4-9-18-13/h3-5,9,12H,6-8,10-11H2,1-2H3.
What are the key properties of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one?
1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 169410942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).