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

C20H12FN5O2 — CID 46359390

IUPAC3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(Nc4ccc(-c5ccno5)cc4)c23)cc1
InChIInChI=1S/C20H12FN5O2/c21-14-5-1-13(2-6-14)18-17-19(22-11-23-20(17)28-26-18)25-15-7-3-12(4-8-15)16-9-10-24-27-16/h1-11H,(H,22,23,25)
InChIKeyFFRAVQDNINOTKU-UHFFFAOYSA-N
MW373.35 g/mol
LogP4.82
Rot. Bonds4

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

3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359390) has the molecular formula C20H12FN5O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359390
Molecular FormulaC20H12FN5O2
Molecular Weight373.35 g/mol
Exact Mass373.10
IUPAC Name3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(Nc4ccc(-c5ccno5)cc4)c23)cc1
InChIInChI=1S/C20H12FN5O2/c21-14-5-1-13(2-6-14)18-17-19(22-11-23-20(17)28-26-18)25-15-7-3-12(4-8-15)16-9-10-24-27-16/h1-11H,(H,22,23,25)
InChIKeyFFRAVQDNINOTKU-UHFFFAOYSA-N
XLogP4.82
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359390) is 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(-c2noc3ncnc(Nc4ccc(-c5ccno5)cc4)c23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FFRAVQDNINOTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O2/c21-14-5-1-13(2-6-14)18-17-19(22-11-23-20(17)28-26-18)25-15-7-3-12(4-8-15)16-9-10-24-27-16/h1-11H,(H,22,23,25).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 373.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).