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

C19H15FN4O — CID 20922617

IUPACN-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3onc(-c4ccc(F)cc4)c23)cc1C
InChIInChI=1S/C19H15FN4O/c1-11-3-8-15(9-12(11)2)23-18-16-17(13-4-6-14(20)7-5-13)24-25-19(16)22-10-21-18/h3-10H,1-2H3,(H,21,22,23)
InChIKeyDWVXTKQNWCUREC-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.78
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922617) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922617
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC NameN-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3onc(-c4ccc(F)cc4)c23)cc1C
InChIInChI=1S/C19H15FN4O/c1-11-3-8-15(9-12(11)2)23-18-16-17(13-4-6-14(20)7-5-13)24-25-19(16)22-10-21-18/h3-10H,1-2H3,(H,21,22,23)
InChIKeyDWVXTKQNWCUREC-UHFFFAOYSA-N
XLogP4.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[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

Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922625
3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359390
N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 163322930
3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922589
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922581
N-[4-(3,5-dimethylphenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 163322745
N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924757
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
ethyl (2R)-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutanoate
CID 92745638
N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 155809347

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922617) is N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(Nc2ncnc3onc(-c4ccc(F)cc4)c23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DWVXTKQNWCUREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-11-3-8-15(9-12(11)2)23-18-16-17(13-4-6-14(20)7-5-13)24-25-19(16)22-10-21-18/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 334.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).