methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate

C12H20N2O3 — CID 115353489

IUPACmethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
SMILESCCC(NC(C)c1c(C)noc1C)C(=O)OC
InChIInChI=1S/C12H20N2O3/c1-6-10(12(15)16-5)13-7(2)11-8(3)14-17-9(11)4/h7,10,13H,6H2,1-5H3
InChIKeyZDKWXPPUSYIVKU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.89
Rot. Bonds5

About methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate

methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate (PubChem CID 115353489) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
PubChem CID115353489
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
SMILESCCC(NC(C)c1c(C)noc1C)C(=O)OC
InChIInChI=1S/C12H20N2O3/c1-6-10(12(15)16-5)13-7(2)11-8(3)14-17-9(11)4/h7,10,13H,6H2,1-5H3
InChIKeyZDKWXPPUSYIVKU-UHFFFAOYSA-N
XLogP1.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide
CID 78961648
methyl (E)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]prop-2-enoate
CID 103255492
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide
CID 81102218
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115720129
ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate
CID 103255501
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine
CID 114228241
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79238531
1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one
CID 78961619
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 78961595

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate?
The IUPAC name of methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate (CID 115353489) is methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate?
The canonical SMILES for methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate is CCC(NC(C)c1c(C)noc1C)C(=O)OC.
What is the InChIKey of methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate?
The InChIKey is ZDKWXPPUSYIVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6-10(12(15)16-5)13-7(2)11-8(3)14-17-9(11)4/h7,10,13H,6H2,1-5H3.
What are the key properties of methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate?
methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate has a molecular weight of 240.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate is sourced from PubChem (CID 115353489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).