2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

C16H20N6O3 — CID 56883063

IUPAC2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCOCc1noc(CC2CN(c3cc(C)nc4ccnn34)CCO2)n1
InChIInChI=1S/C16H20N6O3/c1-11-7-16(22-14(18-11)3-4-17-22)21-5-6-24-12(9-21)8-15-19-13(10-23-2)20-25-15/h3-4,7,12H,5-6,8-10H2,1-2H3
InChIKeyIFQHJIARFMAYCO-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.02
Rot. Bonds5

About 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 56883063) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID56883063
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCOCc1noc(CC2CN(c3cc(C)nc4ccnn34)CCO2)n1
InChIInChI=1S/C16H20N6O3/c1-11-7-16(22-14(18-11)3-4-17-22)21-5-6-24-12(9-21)8-15-19-13(10-23-2)20-25-15/h3-4,7,12H,5-6,8-10H2,1-2H3
InChIKeyIFQHJIARFMAYCO-UHFFFAOYSA-N
XLogP1.02
TPSA90.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 95708943
[(2S)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 97148139
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
CID 97434480
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464
1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone
CID 97451805
1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74241951
7-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56899517
7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 95891689
[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95882578
[(3S)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95882577
2-[(2R)-4-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]ethanamine
CID 95871704
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
CID 125436186

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 56883063) is 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is COCc1noc(CC2CN(c3cc(C)nc4ccnn34)CCO2)n1.
What is the InChIKey of 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is IFQHJIARFMAYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-11-7-16(22-14(18-11)3-4-17-22)21-5-6-24-12(9-21)8-15-19-13(10-23-2)20-25-15/h3-4,7,12H,5-6,8-10H2,1-2H3.
What are the key properties of 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 344.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 56883063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).