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

C11H16N2O4 — CID 115537759

IUPACmethyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cnoc2)CCO1
InChIInChI=1S/C11H16N2O4/c1-15-11(14)4-10-7-13(2-3-16-10)6-9-5-12-17-8-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyLOIMOSCZVKFTHU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.44
Rot. Bonds4

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

methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate (PubChem CID 115537759) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
PubChem CID115537759
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cnoc2)CCO1
InChIInChI=1S/C11H16N2O4/c1-15-11(14)4-10-7-13(2-3-16-10)6-9-5-12-17-8-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyLOIMOSCZVKFTHU-UHFFFAOYSA-N
XLogP0.44
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
CID 115537740
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600
methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate
CID 78982340
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetate
CID 79822612
methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate
CID 71861742
methyl 2-[(2S)-4-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)methyl]morpholin-2-yl]acetate
CID 99799285
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate (CID 115537759) is methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2cnoc2)CCO1.
What is the InChIKey of methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate?
The InChIKey is LOIMOSCZVKFTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-15-11(14)4-10-7-13(2-3-16-10)6-9-5-12-17-8-9/h5,8,10H,2-4,6-7H2,1H3.
What are the key properties of methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate?
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate has a molecular weight of 240.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115537759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).