methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate

C9H14N2O3 — CID 115353525

IUPACmethyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
SMILESCCC(NCc1ccon1)C(=O)OC
InChIInChI=1S/C9H14N2O3/c1-3-8(9(12)13-2)10-6-7-4-5-14-11-7/h4-5,8,10H,3,6H2,1-2H3
InChIKeyKGBPAIXVFJPWGA-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.72
Rot. Bonds5

About methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate

methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate (PubChem CID 115353525) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
PubChem CID115353525
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
SMILESCCC(NCc1ccon1)C(=O)OC
InChIInChI=1S/C9H14N2O3/c1-3-8(9(12)13-2)10-6-7-4-5-14-11-7/h4-5,8,10H,3,6H2,1-2H3
InChIKeyKGBPAIXVFJPWGA-UHFFFAOYSA-N
XLogP0.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl(1,2-oxazol-3-ylmethyl)amine
CID 23006272
1-(1,2-Oxazol-3-ylmethyl)piperazine
CID 4914503
1-((1,2-Oxazol-3-yl)methyl)piperazine dihydrochloride
CID 165981583
2-Methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 71969456
N~1~-(tert-butyl)-N~3~-(isoxazol-3-ylmethyl)-N~3~-methyl-beta-alaninamide
CID 91831466
(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 97062241
methyl (2S)-2-hydroxy-3-methyl-3-(1,2-oxazol-3-ylmethylamino)butanoate
CID 99835976
3-[[4-[2-(2-Methylpropoxy)ethyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 121524176
N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79487772
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 81170008
1,1,1-Trifluoro-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81170453
3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 81170683

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate?
The IUPAC name of methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate (CID 115353525) is methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate.
What is the SMILES notation for methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate?
The canonical SMILES for methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate is CCC(NCc1ccon1)C(=O)OC.
What is the InChIKey of methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate?
The InChIKey is KGBPAIXVFJPWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-8(9(12)13-2)10-6-7-4-5-14-11-7/h4-5,8,10H,3,6H2,1-2H3.
What are the key properties of methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate?
methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate has a molecular weight of 198.22 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate is sourced from PubChem (CID 115353525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).