methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate

C11H18N2O3 — CID 106371286

IUPACmethyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
SMILESCCc1cnc(CNCC(C)C(=O)OC)o1
InChIInChI=1S/C11H18N2O3/c1-4-9-6-13-10(16-9)7-12-5-8(2)11(14)15-3/h6,8,12H,4-5,7H2,1-3H3
InChIKeyAFAVNUJVFNTHQN-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.14
Rot. Bonds6

About methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate

methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate (PubChem CID 106371286) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
PubChem CID106371286
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
SMILESCCc1cnc(CNCC(C)C(=O)OC)o1
InChIInChI=1S/C11H18N2O3/c1-4-9-6-13-10(16-9)7-12-5-8(2)11(14)15-3/h6,8,12H,4-5,7H2,1-3H3
InChIKeyAFAVNUJVFNTHQN-UHFFFAOYSA-N
XLogP1.14
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate
CID 106373494
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103275226
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 106371334
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
CID 106371541
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371196
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylacetamide
CID 106371047
N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate (CID 106371286) is methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate is CCc1cnc(CNCC(C)C(=O)OC)o1.
What is the InChIKey of methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate?
The InChIKey is AFAVNUJVFNTHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-9-6-13-10(16-9)7-12-5-8(2)11(14)15-3/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate?
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate has a molecular weight of 226.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 106371286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).