ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate

C13H15N3O3 — CID 114184126

IUPACethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate
SMILESCCOC(=O)C(NCc1ncon1)c1ccccc1
InChIInChI=1S/C13H15N3O3/c1-2-18-13(17)12(10-6-4-3-5-7-10)14-8-11-15-9-19-16-11/h3-7,9,12,14H,2,8H2,1H3
InChIKeyKNISSODTEIINBL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.46
Rot. Bonds6

About ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate

ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate (PubChem CID 114184126) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate
PubChem CID114184126
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate
SMILESCCOC(=O)C(NCc1ncon1)c1ccccc1
InChIInChI=1S/C13H15N3O3/c1-2-18-13(17)12(10-6-4-3-5-7-10)14-8-11-15-9-19-16-11/h3-7,9,12,14H,2,8H2,1H3
InChIKeyKNISSODTEIINBL-UHFFFAOYSA-N
XLogP1.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 106399325
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate
CID 114186508
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 106399276
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate?
The IUPAC name of ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate (CID 114184126) is ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate is CCOC(=O)C(NCc1ncon1)c1ccccc1.
What is the InChIKey of ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate?
The InChIKey is KNISSODTEIINBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-18-13(17)12(10-6-4-3-5-7-10)14-8-11-15-9-19-16-11/h3-7,9,12,14H,2,8H2,1H3.
What are the key properties of ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate?
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate has a molecular weight of 261.28 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate is sourced from PubChem (CID 114184126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).