5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H11ClN6O2 — CID 58063241

IUPAC5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cnoc3-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-20-25-14)21-16(24)11-7-19-23-5-4-13(18)22-15(11)23/h1-8H,(H2,18,22)(H,21,24)
InChIKeyAAENIXAZGRAAII-UHFFFAOYSA-N
MW354.76 g/mol
LogP2.87
Rot. Bonds3

About 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063241) has the molecular formula C16H11ClN6O2 and a molecular weight of 354.76 g/mol. Its IUPAC name is 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063241
Molecular FormulaC16H11ClN6O2
Molecular Weight354.76 g/mol
Exact Mass354.06
IUPAC Name5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cnoc3-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-20-25-14)21-16(24)11-7-19-23-5-4-13(18)22-15(11)23/h1-8H,(H2,18,22)(H,21,24)
InChIKeyAAENIXAZGRAAII-UHFFFAOYSA-N
XLogP2.87
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063241) is 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3cnoc3-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AAENIXAZGRAAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-20-25-14)21-16(24)11-7-19-23-5-4-13(18)22-15(11)23/h1-8H,(H2,18,22)(H,21,24).
What are the key properties of 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).