N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C15H13F3N4O3 — CID 99844656

IUPACN-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3onc(C)c23)cc1OCC(F)(F)F
InChIInChI=1S/C15H13F3N4O3/c1-8-12-13(19-7-20-14(12)25-22-8)21-9-3-4-10(23-2)11(5-9)24-6-15(16,17)18/h3-5,7H,6H2,1-2H3,(H,19,20,21)
InChIKeyZSAJTRFVIGEQPB-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.62
Rot. Bonds5

About N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 99844656) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID99844656
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3onc(C)c23)cc1OCC(F)(F)F
InChIInChI=1S/C15H13F3N4O3/c1-8-12-13(19-7-20-14(12)25-22-8)21-9-3-4-10(23-2)11(5-9)24-6-15(16,17)18/h3-5,7H,6H2,1-2H3,(H,19,20,21)
InChIKeyZSAJTRFVIGEQPB-UHFFFAOYSA-N
XLogP3.62
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924757
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359455
N-(3-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924668
6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
CID 133418635
3-ethyl-N-(2-methoxy-5-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 52998644
3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133351459
2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 126781621
3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72891339
N-[(4-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 116650493
5-(3,4-dimethoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412306
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142
N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922617

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 99844656) is N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3onc(C)c23)cc1OCC(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZSAJTRFVIGEQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c1-8-12-13(19-7-20-14(12)25-22-8)21-9-3-4-10(23-2)11(5-9)24-6-15(16,17)18/h3-5,7H,6H2,1-2H3,(H,19,20,21).
What are the key properties of N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 354.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 99844656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).