4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one

C12H19N3O3 — CID 116808797

IUPAC4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
SMILESCC(C)CC(=O)Cc1nc(N2CCOCC2)no1
InChIInChI=1S/C12H19N3O3/c1-9(2)7-10(16)8-11-13-12(14-18-11)15-3-5-17-6-4-15/h9H,3-8H2,1-2H3
InChIKeyZGLFDAJZFQRKHJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.06
Rot. Bonds5

About 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one

4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one (PubChem CID 116808797) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
PubChem CID116808797
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
SMILESCC(C)CC(=O)Cc1nc(N2CCOCC2)no1
InChIInChI=1S/C12H19N3O3/c1-9(2)7-10(16)8-11-13-12(14-18-11)15-3-5-17-6-4-15/h9H,3-8H2,1-2H3
InChIKeyZGLFDAJZFQRKHJ-UHFFFAOYSA-N
XLogP1.06
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809224
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527504
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-methylbutanamide
CID 71807274
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808604
3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 116809221
2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The IUPAC name of 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one (CID 116808797) is 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The canonical SMILES for 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one is CC(C)CC(=O)Cc1nc(N2CCOCC2)no1.
What is the InChIKey of 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The InChIKey is ZGLFDAJZFQRKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)7-10(16)8-11-13-12(14-18-11)15-3-5-17-6-4-15/h9H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one has a molecular weight of 253.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one is sourced from PubChem (CID 116808797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).