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

C15H16N4O2 — CID 46359565

IUPAC3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2onc(-c3cccc(OC)c3)c12
InChIInChI=1S/C15H16N4O2/c1-3-7-16-14-12-13(19-21-15(12)18-9-17-14)10-5-4-6-11(8-10)20-2/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyVEMMSTRFQPVGHY-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.12
Rot. Bonds5

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

3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359565) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359565
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2onc(-c3cccc(OC)c3)c12
InChIInChI=1S/C15H16N4O2/c1-3-7-16-14-12-13(19-21-15(12)18-9-17-14)10-5-4-6-11(8-10)20-2/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyVEMMSTRFQPVGHY-UHFFFAOYSA-N
XLogP3.12
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359537
3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359577
N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359553
3-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873327
N-[3-(3-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 46359362
3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922589
3-(3-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359325
3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92730251
3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359364
3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359527
2-(3-methoxyphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188855
N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
CID 3232599

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359565) is 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCCNc1ncnc2onc(-c3cccc(OC)c3)c12.
What is the InChIKey of 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VEMMSTRFQPVGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-7-16-14-12-13(19-21-15(12)18-9-17-14)10-5-4-6-11(8-10)20-2/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 284.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).