ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate

C11H18N2O3 — CID 79502591

IUPACethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
SMILESCCCC(NCc1ccon1)C(=O)OCC
InChIInChI=1S/C11H18N2O3/c1-3-5-10(11(14)15-4-2)12-8-9-6-7-16-13-9/h6-7,10,12H,3-5,8H2,1-2H3
InChIKeyQKGPBRGFCLGEHX-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.50
Rot. Bonds7

About ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate

ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate (PubChem CID 79502591) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
PubChem CID79502591
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
SMILESCCCC(NCc1ccon1)C(=O)OCC
InChIInChI=1S/C11H18N2O3/c1-3-5-10(11(14)15-4-2)12-8-9-6-7-16-13-9/h6-7,10,12H,3-5,8H2,1-2H3
InChIKeyQKGPBRGFCLGEHX-UHFFFAOYSA-N
XLogP1.50
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
CID 115353525
2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 79503018
3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
CID 103259741
ethyl 2-[(5-chlorothiophen-2-yl)methylamino]pentanoate
CID 79040384
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
N-(1,2-oxazol-3-ylmethyl)pentan-3-amine
CID 79002535
(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 71866136
ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
CID 104589369
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 106399325
4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide
CID 81170886
2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 81177101
N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine
CID 115726401

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate?
The IUPAC name of ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate (CID 79502591) is ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate.
What is the SMILES notation for ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate?
The canonical SMILES for ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate is CCCC(NCc1ccon1)C(=O)OCC.
What is the InChIKey of ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate?
The InChIKey is QKGPBRGFCLGEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-5-10(11(14)15-4-2)12-8-9-6-7-16-13-9/h6-7,10,12H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate?
ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate has a molecular weight of 226.28 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate is sourced from PubChem (CID 79502591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).