5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C18H13FN4O — CID 71832783

IUPAC5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1ccc(-c2nc3c(N)nc(-c4ccc(F)cc4)nc3o2)cc1
InChIInChI=1S/C18H13FN4O/c1-10-2-4-12(5-3-10)17-21-14-15(20)22-16(23-18(14)24-17)11-6-8-13(19)9-7-11/h2-9H,1H3,(H2,20,22,23)
InChIKeySGHICHXUCNQHHD-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.98
Rot. Bonds2

About 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 71832783) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID71832783
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1ccc(-c2nc3c(N)nc(-c4ccc(F)cc4)nc3o2)cc1
InChIInChI=1S/C18H13FN4O/c1-10-2-4-12(5-3-10)17-21-14-15(20)22-16(23-18(14)24-17)11-6-8-13(19)9-7-11/h2-9H,1H3,(H2,20,22,23)
InChIKeySGHICHXUCNQHHD-UHFFFAOYSA-N
XLogP3.98
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine 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-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 71832783) is 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Cc1ccc(-c2nc3c(N)nc(-c4ccc(F)cc4)nc3o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is SGHICHXUCNQHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-10-2-4-12(5-3-10)17-21-14-15(20)22-16(23-18(14)24-17)11-6-8-13(19)9-7-11/h2-9H,1H3,(H2,20,22,23).
What are the key properties of 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 320.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 71832783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).