methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate

C12H19N3O4 — CID 113247736

IUPACmethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1noc(C(C)C)n1
InChIInChI=1S/C12H19N3O4/c1-8(2)11-13-10(14-19-11)6-15-4-5-18-7-9(15)12(16)17-3/h8-9H,4-7H2,1-3H3
InChIKeyIVIAQCINKLUOOF-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.57
Rot. Bonds4

About methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate

methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate (PubChem CID 113247736) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate
PubChem CID113247736
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Namemethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1noc(C(C)C)n1
InChIInChI=1S/C12H19N3O4/c1-8(2)11-13-10(14-19-11)6-15-4-5-18-7-9(15)12(16)17-3/h8-9H,4-7H2,1-3H3
InChIKeyIVIAQCINKLUOOF-UHFFFAOYSA-N
XLogP0.57
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S,3aR,7aR)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124823134
(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986916
methyl 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-3-carboxylate
CID 113247750
methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
CID 79832899
methyl 4-(2-cyanopropyl)morpholine-3-carboxylate
CID 104774976
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate
CID 115688127
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]morpholine-3-carboxylate
CID 115752698
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate (CID 113247736) is methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1noc(C(C)C)n1.
What is the InChIKey of methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate?
The InChIKey is IVIAQCINKLUOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(2)11-13-10(14-19-11)6-15-4-5-18-7-9(15)12(16)17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate?
methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate is sourced from PubChem (CID 113247736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).