N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

C17H16N6O — CID 72546472

IUPACN'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3cc(-c4ccccc4)no3)c2n1
InChIInChI=1S/C17H16N6O/c18-7-8-19-16-6-9-23-17(21-16)13(11-20-23)15-10-14(22-24-15)12-4-2-1-3-5-12/h1-6,9-11H,7-8,18H2,(H,19,21)
InChIKeyYQYWZODXIAVWDM-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.42
Rot. Bonds5

About N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 72546472) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID72546472
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3cc(-c4ccccc4)no3)c2n1
InChIInChI=1S/C17H16N6O/c18-7-8-19-16-6-9-23-17(21-16)13(11-20-23)15-10-14(22-24-15)12-4-2-1-3-5-12/h1-6,9-11H,7-8,18H2,(H,19,21)
InChIKeyYQYWZODXIAVWDM-UHFFFAOYSA-N
XLogP2.42
TPSA94.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 72546472) is N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1ccn2ncc(-c3cc(-c4ccccc4)no3)c2n1.
What is the InChIKey of N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is YQYWZODXIAVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-7-8-19-16-6-9-23-17(21-16)13(11-20-23)15-10-14(22-24-15)12-4-2-1-3-5-12/h1-6,9-11H,7-8,18H2,(H,19,21).
What are the key properties of N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 320.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 72546472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).