7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine

C15H18N6O3 — CID 97130086

IUPAC7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc(C[C@H]2CN(c3ncnc4oc(C)nc34)CCO2)no1
InChIInChI=1S/C15H18N6O3/c1-3-12-19-11(20-24-12)6-10-7-21(4-5-22-10)14-13-15(17-8-16-14)23-9(2)18-13/h8,10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyXMWBLHAKZXLROE-JTQLQIEISA-N
MW330.35 g/mol
LogP1.32
Rot. Bonds4

About 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine

7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 97130086) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID97130086
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc(C[C@H]2CN(c3ncnc4oc(C)nc34)CCO2)no1
InChIInChI=1S/C15H18N6O3/c1-3-12-19-11(20-24-12)6-10-7-21(4-5-22-10)14-13-15(17-8-16-14)23-9(2)18-13/h8,10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyXMWBLHAKZXLROE-JTQLQIEISA-N
XLogP1.32
TPSA103.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine (CID 97130086) is 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine is CCc1nc(C[C@H]2CN(c3ncnc4oc(C)nc34)CCO2)no1.
What is the InChIKey of 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is XMWBLHAKZXLROE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N6O3/c1-3-12-19-11(20-24-12)6-10-7-21(4-5-22-10)14-13-15(17-8-16-14)23-9(2)18-13/h8,10H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 330.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 97130086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).