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

C18H24N6O2 — CID 72905571

IUPAC2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc2c(N3CCCC(c4nccn4CCOC)C3)ncnc2o1
InChIInChI=1S/C18H24N6O2/c1-3-14-22-15-17(20-12-21-18(15)26-14)24-7-4-5-13(11-24)16-19-6-8-23(16)9-10-25-2/h6,8,12-13H,3-5,7,9-11H2,1-2H3
InChIKeyCJKHBLJIKLQQSE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.41
Rot. Bonds6

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

2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 72905571) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID72905571
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc2c(N3CCCC(c4nccn4CCOC)C3)ncnc2o1
InChIInChI=1S/C18H24N6O2/c1-3-14-22-15-17(20-12-21-18(15)26-14)24-7-4-5-13(11-24)16-19-6-8-23(16)9-10-25-2/h6,8,12-13H,3-5,7,9-11H2,1-2H3
InChIKeyCJKHBLJIKLQQSE-UHFFFAOYSA-N
XLogP2.41
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine (CID 72905571) is 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine is CCc1nc2c(N3CCCC(c4nccn4CCOC)C3)ncnc2o1.
What is the InChIKey of 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is CJKHBLJIKLQQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-14-22-15-17(20-12-21-18(15)26-14)24-7-4-5-13(11-24)16-19-6-8-23(16)9-10-25-2/h6,8,12-13H,3-5,7,9-11H2,1-2H3.
What are the key properties of 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 356.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 72905571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).