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

C19H14F2N4O3 — CID 46359513

IUPAC3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3onc(-c4cc(F)cc(F)c4)c23)cc(OC)c1
InChIInChI=1S/C19H14F2N4O3/c1-26-14-6-13(7-15(8-14)27-2)24-18-16-17(25-28-19(16)23-9-22-18)10-3-11(20)5-12(21)4-10/h3-9H,1-2H3,(H,22,23,24)
InChIKeyZFQNFRKYWUKXTK-UHFFFAOYSA-N
MW384.34 g/mol
LogP4.32
Rot. Bonds5

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

3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359513) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359513
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3onc(-c4cc(F)cc(F)c4)c23)cc(OC)c1
InChIInChI=1S/C19H14F2N4O3/c1-26-14-6-13(7-15(8-14)27-2)24-18-16-17(25-28-19(16)23-9-22-18)10-3-11(20)5-12(21)4-10/h3-9H,1-2H3,(H,22,23,24)
InChIKeyZFQNFRKYWUKXTK-UHFFFAOYSA-N
XLogP4.32
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-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 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359513) is 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3onc(-c4cc(F)cc(F)c4)c23)cc(OC)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZFQNFRKYWUKXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c1-26-14-6-13(7-15(8-14)27-2)24-18-16-17(25-28-19(16)23-9-22-18)10-3-11(20)5-12(21)4-10/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 384.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).