[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C16H23N5O3 — CID 129000821

IUPAC[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1nnc(C2COCCN2C(=O)c2cnn(CC(C)C)c2C)o1
InChIInChI=1S/C16H23N5O3/c1-10(2)8-21-11(3)13(7-17-21)16(22)20-5-6-23-9-14(20)15-19-18-12(4)24-15/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyQGIIXGXEUWXTHY-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.75
Rot. Bonds4

About [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129000821) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129000821
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1nnc(C2COCCN2C(=O)c2cnn(CC(C)C)c2C)o1
InChIInChI=1S/C16H23N5O3/c1-10(2)8-21-11(3)13(7-17-21)16(22)20-5-6-23-9-14(20)15-19-18-12(4)24-15/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyQGIIXGXEUWXTHY-UHFFFAOYSA-N
XLogP1.75
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326592
(2,4-difluoro-5-methylphenyl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325984
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526129
(5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 136564951
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one
CID 129004647
(6-fluoro-1H-benzimidazol-4-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 127956026
1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 129326628
2H-chromen-3-yl-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128996736
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 128996947
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164
(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129473486

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129000821) is [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is Cc1nnc(C2COCCN2C(=O)c2cnn(CC(C)C)c2C)o1.
What is the InChIKey of [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is QGIIXGXEUWXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10(2)8-21-11(3)13(7-17-21)16(22)20-5-6-23-9-14(20)15-19-18-12(4)24-15/h7,10,14H,5-6,8-9H2,1-4H3.
What are the key properties of [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129000821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).