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

C19H14F2N4O — CID 46359527

IUPAC3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cc(F)cc(-c2noc3ncnc(NCCc4ccccc4)c23)c1
InChIInChI=1S/C19H14F2N4O/c20-14-8-13(9-15(21)10-14)17-16-18(23-11-24-19(16)26-25-17)22-7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,22,23,24)
InChIKeyGCWXEBIHYANJMD-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.22
Rot. Bonds5

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

3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359527) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359527
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cc(F)cc(-c2noc3ncnc(NCCc4ccccc4)c23)c1
InChIInChI=1S/C19H14F2N4O/c20-14-8-13(9-15(21)10-14)17-16-18(23-11-24-19(16)26-25-17)22-7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,22,23,24)
InChIKeyGCWXEBIHYANJMD-UHFFFAOYSA-N
XLogP4.22
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-benzyl-N-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 46359474
3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359472
3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922589
N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359470
3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359479
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692169
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873343
N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922592
3-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873327
3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922527
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922581

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359527) is 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1cc(F)cc(-c2noc3ncnc(NCCc4ccccc4)c23)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GCWXEBIHYANJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c20-14-8-13(9-15(21)10-14)17-16-18(23-11-24-19(16)26-25-17)22-7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,22,23,24).
What are the key properties of 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 352.34 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).