2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

C15H11ClN4O — CID 176902875

IUPAC2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESClc1ccn2nc(C3=NC(c4ccccc4)CO3)cc2n1
InChIInChI=1S/C15H11ClN4O/c16-13-6-7-20-14(18-13)8-11(19-20)15-17-12(9-21-15)10-4-2-1-3-5-10/h1-8,12H,9H2
InChIKeyBLDHFKOOZBRZNP-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.90
Rot. Bonds2

About 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 176902875) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID176902875
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESClc1ccn2nc(C3=NC(c4ccccc4)CO3)cc2n1
InChIInChI=1S/C15H11ClN4O/c16-13-6-7-20-14(18-13)8-11(19-20)15-17-12(9-21-15)10-4-2-1-3-5-10/h1-8,12H,9H2
InChIKeyBLDHFKOOZBRZNP-UHFFFAOYSA-N
XLogP2.90
TPSA51.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 176902875) is 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is Clc1ccn2nc(C3=NC(c4ccccc4)CO3)cc2n1.
What is the InChIKey of 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BLDHFKOOZBRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-13-6-7-20-14(18-13)8-11(19-20)15-17-12(9-21-15)10-4-2-1-3-5-10/h1-8,12H,9H2.
What are the key properties of 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 298.73 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 176902875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).