N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C17H11FN4O — CID 155809347

IUPACN-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccccc1Nc1ncnc2onc(-c3ccccc3)c12
InChIInChI=1S/C17H11FN4O/c18-12-8-4-5-9-13(12)21-16-14-15(11-6-2-1-3-7-11)22-23-17(14)20-10-19-16/h1-10H,(H,19,20,21)
InChIKeyLQJRFAUJTKPAAG-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.17
Rot. Bonds3

About N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 155809347) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID155809347
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC NameN-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccccc1Nc1ncnc2onc(-c3ccccc3)c12
InChIInChI=1S/C17H11FN4O/c18-12-8-4-5-9-13(12)21-16-14-15(11-6-2-1-3-7-11)22-23-17(14)20-10-19-16/h1-10H,(H,19,20,21)
InChIKeyLQJRFAUJTKPAAG-UHFFFAOYSA-N
XLogP4.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 155809347) is N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1ccccc1Nc1ncnc2onc(-c3ccccc3)c12.
What is the InChIKey of N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LQJRFAUJTKPAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-12-8-4-5-9-13(12)21-16-14-15(11-6-2-1-3-7-11)22-23-17(14)20-10-19-16/h1-10H,(H,19,20,21).
What are the key properties of N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 306.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155809347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).