methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate

C14H23N3O4 — CID 79827344

IUPACmethyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2nc(CC(C)C)no2)CCO1
InChIInChI=1S/C14H23N3O4/c1-10(2)6-12-15-13(21-16-12)9-17-4-5-20-11(8-17)7-14(18)19-3/h10-11H,4-9H2,1-3H3
InChIKeyZFYOYWFOTVKZNK-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.03
Rot. Bonds6

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

methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate (PubChem CID 79827344) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
PubChem CID79827344
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Namemethyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2nc(CC(C)C)no2)CCO1
InChIInChI=1S/C14H23N3O4/c1-10(2)6-12-15-13(21-16-12)9-17-4-5-20-11(8-17)7-14(18)19-3/h10-11H,4-9H2,1-3H3
InChIKeyZFYOYWFOTVKZNK-UHFFFAOYSA-N
XLogP1.03
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]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
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]acetic acid
CID 64618289
methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
CID 115537740
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293
N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928186
methyl 2-[4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetate
CID 115537767
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66434488
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
CID 125436186

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate (CID 79827344) is methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2nc(CC(C)C)no2)CCO1.
What is the InChIKey of methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate?
The InChIKey is ZFYOYWFOTVKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(2)6-12-15-13(21-16-12)9-17-4-5-20-11(8-17)7-14(18)19-3/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate?
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate has a molecular weight of 297.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79827344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).