methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate

C10H15N3O4 — CID 115537740

IUPACmethyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ncon2)CCO1
InChIInChI=1S/C10H15N3O4/c1-15-10(14)4-8-5-13(2-3-16-8)6-9-11-7-17-12-9/h7-8H,2-6H2,1H3
InChIKeyVFXLTTDWMLSNPV-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.17
Rot. Bonds4

About methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate

methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate (PubChem CID 115537740) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
PubChem CID115537740
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ncon2)CCO1
InChIInChI=1S/C10H15N3O4/c1-15-10(14)4-8-5-13(2-3-16-8)6-9-11-7-17-12-9/h7-8H,2-6H2,1H3
InChIKeyVFXLTTDWMLSNPV-UHFFFAOYSA-N
XLogP-0.17
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate with MolForge

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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-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
CID 115537767
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
CID 79827344
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
methyl 2-[4-[(5-chlorothiadiazol-4-yl)methyl]morpholin-2-yl]acetate
CID 79823058
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate (CID 115537740) is methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2ncon2)CCO1.
What is the InChIKey of methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate?
The InChIKey is VFXLTTDWMLSNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-15-10(14)4-8-5-13(2-3-16-8)6-9-11-7-17-12-9/h7-8H,2-6H2,1H3.
What are the key properties of methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate?
methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate has a molecular weight of 241.25 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115537740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).