methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate

C13H20N2O4 — CID 115536624

IUPACmethyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1cnoc1)CC1CCCO1
InChIInChI=1S/C13H20N2O4/c1-17-13(16)4-5-15(8-11-7-14-19-10-11)9-12-3-2-6-18-12/h7,10,12H,2-6,8-9H2,1H3
InChIKeyNAQUYQOPAXITJF-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.22
Rot. Bonds7

About methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 115536624) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID115536624
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1cnoc1)CC1CCCO1
InChIInChI=1S/C13H20N2O4/c1-17-13(16)4-5-15(8-11-7-14-19-10-11)9-12-3-2-6-18-12/h7,10,12H,2-6,8-9H2,1H3
InChIKeyNAQUYQOPAXITJF-UHFFFAOYSA-N
XLogP1.22
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[1,2,4-oxadiazol-5-ylmethyl(oxolan-2-ylmethyl)amino]propanoate
CID 115536612
methyl 3-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 56790959
methyl 3-[(3-methyl-1,2-oxazol-5-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propanoate
CID 95628109
methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964095
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964261
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate (CID 115536624) is methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(Cc1cnoc1)CC1CCCO1.
What is the InChIKey of methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is NAQUYQOPAXITJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-17-13(16)4-5-15(8-11-7-14-19-10-11)9-12-3-2-6-18-12/h7,10,12H,2-6,8-9H2,1H3.
What are the key properties of methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 268.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 115536624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).