3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine

C20H19N7O2 — CID 46359550

IUPAC3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCOc1cccc(-c2noc3ncnc(N4CCN(c5ncccn5)CC4)c23)c1
InChIInChI=1S/C20H19N7O2/c1-28-15-5-2-4-14(12-15)17-16-18(23-13-24-19(16)29-25-17)26-8-10-27(11-9-26)20-21-6-3-7-22-20/h2-7,12-13H,8-11H2,1H3
InChIKeyFRBMCIXCHSPJJN-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.41
Rot. Bonds4

About 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine

3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 46359550) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID46359550
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCOc1cccc(-c2noc3ncnc(N4CCN(c5ncccn5)CC4)c23)c1
InChIInChI=1S/C20H19N7O2/c1-28-15-5-2-4-14(12-15)17-16-18(23-13-24-19(16)29-25-17)26-8-10-27(11-9-26)20-21-6-3-7-22-20/h2-7,12-13H,8-11H2,1H3
InChIKeyFRBMCIXCHSPJJN-UHFFFAOYSA-N
XLogP2.41
TPSA93.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (CID 46359550) is 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is COc1cccc(-c2noc3ncnc(N4CCN(c5ncccn5)CC4)c23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is FRBMCIXCHSPJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-28-15-5-2-4-14(12-15)17-16-18(23-13-24-19(16)29-25-17)26-8-10-27(11-9-26)20-21-6-3-7-22-20/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 389.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 46359550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).