2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine

C20H20N6O2 — CID 70778356

IUPAC2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc2c(N3CCC(c4nc(-c5ccccc5)no4)CC3)ncnc2o1
InChIInChI=1S/C20H20N6O2/c1-2-15-23-16-18(21-12-22-20(16)27-15)26-10-8-14(9-11-26)19-24-17(25-28-19)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyHZPMTBSUCCXZRF-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.61
Rot. Bonds4

About 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine

2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 70778356) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID70778356
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc2c(N3CCC(c4nc(-c5ccccc5)no4)CC3)ncnc2o1
InChIInChI=1S/C20H20N6O2/c1-2-15-23-16-18(21-12-22-20(16)27-15)26-10-8-14(9-11-26)19-24-17(25-28-19)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyHZPMTBSUCCXZRF-UHFFFAOYSA-N
XLogP3.61
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine (CID 70778356) is 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine is CCc1nc2c(N3CCC(c4nc(-c5ccccc5)no4)CC3)ncnc2o1.
What is the InChIKey of 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is HZPMTBSUCCXZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-2-15-23-16-18(21-12-22-20(16)27-15)26-10-8-14(9-11-26)19-24-17(25-28-19)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 376.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 70778356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).