1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one

C16H28N4O3 — CID 126783193

IUPAC1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCCCc1noc(CCCC(=O)N2CCOC(CN(C)C)C2)n1
InChIInChI=1S/C16H28N4O3/c1-4-6-14-17-15(23-18-14)7-5-8-16(21)20-9-10-22-13(12-20)11-19(2)3/h13H,4-12H2,1-3H3
InChIKeyHGJUDOCVCGJLKS-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.13
Rot. Bonds8

About 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one

1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 126783193) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID126783193
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCCCc1noc(CCCC(=O)N2CCOC(CN(C)C)C2)n1
InChIInChI=1S/C16H28N4O3/c1-4-6-14-17-15(23-18-14)7-5-8-16(21)20-9-10-22-13(12-20)11-19(2)3/h13H,4-12H2,1-3H3
InChIKeyHGJUDOCVCGJLKS-UHFFFAOYSA-N
XLogP1.13
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one with MolForge

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Related Compounds

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95327283
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62372529
2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 129330308
1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120572504
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(piperidine-1-carbonyl)morpholin-4-yl]propan-1-one
CID 110246379
1-(4-isoquinolin-4-ylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126780409
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62355730
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone
CID 100843897
N,N-dimethyl-2-[4-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642320
ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
CID 55821563
(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 95584930
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 126783193) is 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one is CCCc1noc(CCCC(=O)N2CCOC(CN(C)C)C2)n1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is HGJUDOCVCGJLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-4-6-14-17-15(23-18-14)7-5-8-16(21)20-9-10-22-13(12-20)11-19(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 324.43 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 126783193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).