1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C16H20N4O3 — CID 86981275

IUPAC1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCc2nc(-c3cccnc3)no2)CCO1
InChIInChI=1S/C16H20N4O3/c1-16(2)11-20(8-9-22-16)14(21)6-5-13-18-15(19-23-13)12-4-3-7-17-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3
InChIKeyCZGBJSQYGDHMEX-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.70
Rot. Bonds4

About 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 86981275) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID86981275
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCc2nc(-c3cccnc3)no2)CCO1
InChIInChI=1S/C16H20N4O3/c1-16(2)11-20(8-9-22-16)14(21)6-5-13-18-15(19-23-13)12-4-3-7-17-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3
InChIKeyCZGBJSQYGDHMEX-UHFFFAOYSA-N
XLogP1.70
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

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Related Compounds

1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70729423
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 55622804
N-propan-2-yl-2-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 55622853
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 46471821
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55622728
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 47027058
8a-ethyl-7-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045404
(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97130751
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]butan-1-one
CID 90647780

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 86981275) is 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CC1(C)CN(C(=O)CCc2nc(-c3cccnc3)no2)CCO1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is CZGBJSQYGDHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(2)11-20(8-9-22-16)14(21)6-5-13-18-15(19-23-13)12-4-3-7-17-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 316.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 86981275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).