3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine

C16H23N5O2 — CID 126789303

IUPAC3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCCCC3CN3CCOCC3)c12
InChIInChI=1S/C16H23N5O2/c1-12-14-15(17-11-18-16(14)23-19-12)21-5-3-2-4-13(21)10-20-6-8-22-9-7-20/h11,13H,2-10H2,1H3
InChIKeyVEDDJPOTFNWJFF-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.62
Rot. Bonds3

About 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine

3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 126789303) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID126789303
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCCCC3CN3CCOCC3)c12
InChIInChI=1S/C16H23N5O2/c1-12-14-15(17-11-18-16(14)23-19-12)21-5-3-2-4-13(21)10-20-6-8-22-9-7-20/h11,13H,2-10H2,1H3
InChIKeyVEDDJPOTFNWJFF-UHFFFAOYSA-N
XLogP1.62
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine (CID 126789303) is 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CCCCC3CN3CCOCC3)c12.
What is the InChIKey of 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is VEDDJPOTFNWJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-14-15(17-11-18-16(14)23-19-12)21-5-3-2-4-13(21)10-20-6-8-22-9-7-20/h11,13H,2-10H2,1H3.
What are the key properties of 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine?
3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 317.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 126789303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).