1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

C16H23N5O4 — CID 74241951

IUPAC1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCOCc1noc(CC2CN(C(=O)CCc3cnn(C)c3)CCO2)n1
InChIInChI=1S/C16H23N5O4/c1-20-9-12(8-17-20)3-4-16(22)21-5-6-24-13(10-21)7-15-18-14(11-23-2)19-25-15/h8-9,13H,3-7,10-11H2,1-2H3
InChIKeyVVYCZOULMKMYSY-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.35
Rot. Bonds7

About 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 74241951) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID74241951
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCOCc1noc(CC2CN(C(=O)CCc3cnn(C)c3)CCO2)n1
InChIInChI=1S/C16H23N5O4/c1-20-9-12(8-17-20)3-4-16(22)21-5-6-24-13(10-21)7-15-18-14(11-23-2)19-25-15/h8-9,13H,3-7,10-11H2,1-2H3
InChIKeyVVYCZOULMKMYSY-UHFFFAOYSA-N
XLogP0.35
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
[(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
1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone
CID 97451805
[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
CID 56875485
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 118769589
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
CID 119185780
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 124994504
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 124590081
2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 56883063
(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 95708943
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(piperidine-1-carbonyl)morpholin-4-yl]propan-1-one
CID 110246379

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (CID 74241951) is 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is COCc1noc(CC2CN(C(=O)CCc3cnn(C)c3)CCO2)n1.
What is the InChIKey of 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is VVYCZOULMKMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-20-9-12(8-17-20)3-4-16(22)21-5-6-24-13(10-21)7-15-18-14(11-23-2)19-25-15/h8-9,13H,3-7,10-11H2,1-2H3.
What are the key properties of 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 349.39 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 74241951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).