(5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate

C8H10NO5- — CID 71351524

IUPAC(5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1=NO[C@](C)(C(=O)[O-])C1
InChIInChI=1S/C8H11NO5/c1-3-13-6(10)5-4-8(2,7(11)12)14-9-5/h3-4H2,1-2H3,(H,11,12)/p-1/t8-/m0/s1
InChIKeyWNKKTXZDEVWHHD-QMMMGPOBSA-M
MW200.17 g/mol
LogP-1.17
Rot. Bonds3

About (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate

(5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 71351524) has the molecular formula C8H10NO5- and a molecular weight of 200.17 g/mol. Its IUPAC name is (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name(5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate
PubChem CID71351524
Molecular FormulaC8H10NO5-
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name(5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1=NO[C@](C)(C(=O)[O-])C1
InChIInChI=1S/C8H11NO5/c1-3-13-6(10)5-4-8(2,7(11)12)14-9-5/h3-4H2,1-2H3,(H,11,12)/p-1/t8-/m0/s1
InChIKeyWNKKTXZDEVWHHD-QMMMGPOBSA-M
XLogP-1.17
TPSA88.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate (CID 71351524) is (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1=NO[C@](C)(C(=O)[O-])C1.
What is the InChIKey of (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is WNKKTXZDEVWHHD-QMMMGPOBSA-M. The full InChI is InChI=1S/C8H11NO5/c1-3-13-6(10)5-4-8(2,7(11)12)14-9-5/h3-4H2,1-2H3,(H,11,12)/p-1/t8-/m0/s1.
What are the key properties of (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate?
(5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 200.17 g/mol, XLogP of -1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 71351524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).