5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C13H18N4O — CID 97405679

IUPAC5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2onc(Cn3cccn3)c2C1
InChIInChI=1S/C13H18N4O/c1-10(2)16-7-4-13-11(8-16)12(15-18-13)9-17-6-3-5-14-17/h3,5-6,10H,4,7-9H2,1-2H3
InChIKeyOHEZYANWPTXDIT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.69
Rot. Bonds3

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

5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405679) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405679
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2onc(Cn3cccn3)c2C1
InChIInChI=1S/C13H18N4O/c1-10(2)16-7-4-13-11(8-16)12(15-18-13)9-17-6-3-5-14-17/h3,5-6,10H,4,7-9H2,1-2H3
InChIKeyOHEZYANWPTXDIT-UHFFFAOYSA-N
XLogP1.69
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405679) is 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)N1CCc2onc(Cn3cccn3)c2C1.
What is the InChIKey of 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is OHEZYANWPTXDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)16-7-4-13-11(8-16)12(15-18-13)9-17-6-3-5-14-17/h3,5-6,10H,4,7-9H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 246.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).