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

C19H16N4O3 — CID 24818126

IUPAC3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3onc(-c4ccccc4OC)c23)c1
InChIInChI=1S/C19H16N4O3/c1-24-13-7-5-6-12(10-13)22-18-16-17(23-26-19(16)21-11-20-18)14-8-3-4-9-15(14)25-2/h3-11H,1-2H3,(H,20,21,22)
InChIKeyKVGDOKJHVYRBMG-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.05
Rot. Bonds5

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

3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 24818126) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID24818126
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3onc(-c4ccccc4OC)c23)c1
InChIInChI=1S/C19H16N4O3/c1-24-13-7-5-6-12(10-13)22-18-16-17(23-26-19(16)21-11-20-18)14-8-3-4-9-15(14)25-2/h3-11H,1-2H3,(H,20,21,22)
InChIKeyKVGDOKJHVYRBMG-UHFFFAOYSA-N
XLogP4.05
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 24818126) is 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cccc(Nc2ncnc3onc(-c4ccccc4OC)c23)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KVGDOKJHVYRBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-24-13-7-5-6-12(10-13)22-18-16-17(23-26-19(16)21-11-20-18)14-8-3-4-9-15(14)25-2/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 348.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24818126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).