5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine

C16H16N4O — CID 10446386

IUPAC5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESc1ccc(-c2ncc3onc(N4CCCCC4)c3n2)cc1
InChIInChI=1S/C16H16N4O/c1-3-7-12(8-4-1)15-17-11-13-14(18-15)16(19-21-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyQXELBQKCZPVSLZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.28
Rot. Bonds2

About 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine

5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine (PubChem CID 10446386) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine
PubChem CID10446386
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESc1ccc(-c2ncc3onc(N4CCCCC4)c3n2)cc1
InChIInChI=1S/C16H16N4O/c1-3-7-12(8-4-1)15-17-11-13-14(18-15)16(19-21-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyQXELBQKCZPVSLZ-UHFFFAOYSA-N
XLogP3.28
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The IUPAC name of 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine (CID 10446386) is 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine is c1ccc(-c2ncc3onc(N4CCCCC4)c3n2)cc1.
What is the InChIKey of 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The InChIKey is QXELBQKCZPVSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-7-12(8-4-1)15-17-11-13-14(18-15)16(19-21-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine?
5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine has a molecular weight of 280.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-piperidin-1-yl-[1,2]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 10446386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).