(1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C16H23N5O3 — CID 129326592

IUPAC(1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCCCCn1ncc(C(=O)N2CCOC[C@@H]2c2nnc(C)o2)c1C
InChIInChI=1S/C16H23N5O3/c1-4-5-6-21-11(2)13(9-17-21)16(22)20-7-8-23-10-14(20)15-19-18-12(3)24-15/h9,14H,4-8,10H2,1-3H3/t14-/m1/s1
InChIKeyLOCKMKCTOIDMGG-CQSZACIVSA-N
MW333.39 g/mol
LogP1.90
Rot. Bonds5

About (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

(1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129326592) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129326592
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCCCCn1ncc(C(=O)N2CCOC[C@@H]2c2nnc(C)o2)c1C
InChIInChI=1S/C16H23N5O3/c1-4-5-6-21-11(2)13(9-17-21)16(22)20-7-8-23-10-14(20)15-19-18-12(3)24-15/h9,14H,4-8,10H2,1-3H3/t14-/m1/s1
InChIKeyLOCKMKCTOIDMGG-CQSZACIVSA-N
XLogP1.90
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129000821
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
(2,4-difluoro-5-methylphenyl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325984
(5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 136564951
(2S,3S)-1-(1-butyl-5-methylpyrazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116845
(6-fluoro-1H-benzimidazol-4-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 127956026
2H-chromen-3-yl-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128996736
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 135090278
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327133
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472115
1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082

Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129326592) is (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CCCCn1ncc(C(=O)N2CCOC[C@@H]2c2nnc(C)o2)c1C.
What is the InChIKey of (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is LOCKMKCTOIDMGG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-5-6-21-11(2)13(9-17-21)16(22)20-7-8-23-10-14(20)15-19-18-12(3)24-15/h9,14H,4-8,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
(1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129326592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).