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

C11H18N2O3 — CID 104579691

IUPACmethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate
SMILESCOC(=O)CCCNC(C)c1ncc(C)o1
InChIInChI=1S/C11H18N2O3/c1-8-7-13-11(16-8)9(2)12-6-4-5-10(14)15-3/h7,9,12H,4-6H2,1-3H3
InChIKeyLYCQRTISVZVSPF-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.59
Rot. Bonds6

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

methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate (PubChem CID 104579691) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate
PubChem CID104579691
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate
SMILESCOC(=O)CCCNC(C)c1ncc(C)o1
InChIInChI=1S/C11H18N2O3/c1-8-7-13-11(16-8)9(2)12-6-4-5-10(14)15-3/h7,9,12H,4-6H2,1-3H3
InChIKeyLYCQRTISVZVSPF-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
t-Butyl [2,2,2-trifluoro-1-(5-methyloxazol-2-yl)ethyl]-carbamate
CID 168475044
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71756633
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71873202
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
CID 71983339
2-[(5-Methyl-1,3-oxazol-2-yl)methyl-propan-2-ylamino]acetamide
CID 71989151
ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
CID 75374923
tert-butyl N-[(1S)-1-[5-(bromomethyl)-1,3-oxazol-2-yl]-2-methylpropyl]carbamate
CID 53468360
tert-butyl N-[(1S)-1-[5-(bromomethyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 53468362
Methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
CID 86014949
Ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
CID 134997222
N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65184900

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate?
The IUPAC name of methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate (CID 104579691) is methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate?
The canonical SMILES for methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate is COC(=O)CCCNC(C)c1ncc(C)o1.
What is the InChIKey of methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate?
The InChIKey is LYCQRTISVZVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-7-13-11(16-8)9(2)12-6-4-5-10(14)15-3/h7,9,12H,4-6H2,1-3H3.
What are the key properties of methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate?
methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate has a molecular weight of 226.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate is sourced from PubChem (CID 104579691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).