methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate

C11H15N3O5 — CID 113330663

IUPACmethyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2noc(C)n2)CCO1
InChIInChI=1S/C11H15N3O5/c1-7-12-10(13-19-7)11(16)14-3-4-18-8(6-14)5-9(15)17-2/h8H,3-6H2,1-2H3
InChIKeyCGSNEAMANLUEMQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.22
Rot. Bonds3

About methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate (PubChem CID 113330663) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate
PubChem CID113330663
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2noc(C)n2)CCO1
InChIInChI=1S/C11H15N3O5/c1-7-12-10(13-19-7)11(16)14-3-4-18-8(6-14)5-9(15)17-2/h8H,3-6H2,1-2H3
InChIKeyCGSNEAMANLUEMQ-UHFFFAOYSA-N
XLogP-0.22
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetate
CID 79822612
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
[2-(1-aminoethyl)morpholin-4-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 113284993
methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806162
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 115679286
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate (CID 113330663) is methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2noc(C)n2)CCO1.
What is the InChIKey of methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate?
The InChIKey is CGSNEAMANLUEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7-12-10(13-19-7)11(16)14-3-4-18-8(6-14)5-9(15)17-2/h8H,3-6H2,1-2H3.
What are the key properties of methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate has a molecular weight of 269.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-methyl-1,2,4-oxadiazole-3-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 113330663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).