(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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Related Compounds

ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate
CID 23241211
ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 6451155
ethyl 5-hydroxy-5-phenyl-4H-1,2-oxazole-3-carboxylate
CID 131845862
ethyl 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 126965212
ethyl 3-chloro-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 156692971
ethyl (5S)-5-methyl-5-[(1R)-4-methyl-5-oxocyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 29089244
5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid
CID 117274241
ethyl 2,2-dimethyl-5H-1,3-thiazole-4-carboxylate;prop-1-en-2-olate
CID 159620761
3-O-tert-butyl 3-O'-ethyl spiro[3-azabicyclo[3.3.1]nonane-9,5'-4H-1,2-oxazole]-3,3'-dicarboxylate
CID 139035483
ethyl 7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxylate
CID 15923805
O-ethyl 5,5-dimethyl-4H-1,2-oxazole-3-carbothioate
CID 166070033
ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate
CID 53301618

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).