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

C12H20N2O3 — CID 106371541

IUPACethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
SMILESCCOC(=O)C(CC)NCc1ncc(CC)o1
InChIInChI=1S/C12H20N2O3/c1-4-9-7-14-11(17-9)8-13-10(5-2)12(15)16-6-3/h7,10,13H,4-6,8H2,1-3H3
InChIKeyYQUDNVZMORZDGB-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.67
Rot. Bonds7

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

ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate (PubChem CID 106371541) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
PubChem CID106371541
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
SMILESCCOC(=O)C(CC)NCc1ncc(CC)o1
InChIInChI=1S/C12H20N2O3/c1-4-9-7-14-11(17-9)8-13-10(5-2)12(15)16-6-3/h7,10,13H,4-6,8H2,1-3H3
InChIKeyYQUDNVZMORZDGB-UHFFFAOYSA-N
XLogP1.67
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371196
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371987
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-pentan-2-ylpropanamide
CID 106370877
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 106399325
methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate
CID 106373494
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylheptanamide
CID 106371015
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutan-2-ol
CID 106368581
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104918606

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate?
The IUPAC name of ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate (CID 106371541) is ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate?
The canonical SMILES for ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate is CCOC(=O)C(CC)NCc1ncc(CC)o1.
What is the InChIKey of ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate?
The InChIKey is YQUDNVZMORZDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-9-7-14-11(17-9)8-13-10(5-2)12(15)16-6-3/h7,10,13H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate?
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate has a molecular weight of 240.30 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate is sourced from PubChem (CID 106371541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).