ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate

C12H15N3O4 — CID 166903194

IUPACethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)[C@]1(c2ccc(OC)nc2)CN=C(N)O1
InChIInChI=1S/C12H15N3O4/c1-3-18-10(16)12(7-15-11(13)19-12)8-4-5-9(17-2)14-6-8/h4-6H,3,7H2,1-2H3,(H2,13,15)/t12-/m1/s1
InChIKeyHTZWUSWGPJWGOA-GFCCVEGCSA-N
MW265.27 g/mol
LogP0.19
Rot. Bonds4

About ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate

ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate (PubChem CID 166903194) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate
PubChem CID166903194
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)[C@]1(c2ccc(OC)nc2)CN=C(N)O1
InChIInChI=1S/C12H15N3O4/c1-3-18-10(16)12(7-15-11(13)19-12)8-4-5-9(17-2)14-6-8/h4-6H,3,7H2,1-2H3,(H2,13,15)/t12-/m1/s1
InChIKeyHTZWUSWGPJWGOA-GFCCVEGCSA-N
XLogP0.19
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate (CID 166903194) is ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate is CCOC(=O)[C@]1(c2ccc(OC)nc2)CN=C(N)O1.
What is the InChIKey of ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate?
The InChIKey is HTZWUSWGPJWGOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-18-10(16)12(7-15-11(13)19-12)8-4-5-9(17-2)14-6-8/h4-6H,3,7H2,1-2H3,(H2,13,15)/t12-/m1/s1.
What are the key properties of ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate?
ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-2-amino-5-(6-methoxy-3-pyridinyl)-4H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 166903194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).