3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C17H16N6O — CID 72924979

IUPAC3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NCCc3cnn(-c4ccccc4)c3)c12
InChIInChI=1S/C17H16N6O/c1-12-15-16(19-11-20-17(15)24-22-12)18-8-7-13-9-21-23(10-13)14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)
InChIKeyGZMMFJQYWLPBCZ-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.77
Rot. Bonds5

About 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72924979) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72924979
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NCCc3cnn(-c4ccccc4)c3)c12
InChIInChI=1S/C17H16N6O/c1-12-15-16(19-11-20-17(15)24-22-12)18-8-7-13-9-21-23(10-13)14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)
InChIKeyGZMMFJQYWLPBCZ-UHFFFAOYSA-N
XLogP2.77
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72924979) is 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NCCc3cnn(-c4ccccc4)c3)c12.
What is the InChIKey of 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GZMMFJQYWLPBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-12-15-16(19-11-20-17(15)24-22-12)18-8-7-13-9-21-23(10-13)14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,18,19,20).
What are the key properties of 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 320.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72924979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).