ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate

C10H15NO3 — CID 175783285

IUPACethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1[C@H](C)CC
InChIInChI=1S/C10H15NO3/c1-4-7(3)9-8(11-6-14-9)10(12)13-5-2/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyNTUYYOJTBSPTEL-SSDOTTSWSA-N
MW197.23 g/mol
LogP2.36
Rot. Bonds4

About ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate

ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate (PubChem CID 175783285) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate
PubChem CID175783285
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1[C@H](C)CC
InChIInChI=1S/C10H15NO3/c1-4-7(3)9-8(11-6-14-9)10(12)13-5-2/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyNTUYYOJTBSPTEL-SSDOTTSWSA-N
XLogP2.36
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Oxazolecarboxylic acid, 5-ethyl-, ethyl ester
CID 12214102
Ethyl 5-cyclopropyloxazole-4-carboxylate
CID 13496996
Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
CID 21031491
5-(3,3,3-Trifluoropropyl)-1,3-oxazole-4-carboxylic acid
CID 65354675
5-(1,1-Dimethylethyl)-4-oxazolecarboxylic acid
CID 22055236
5-Cyclopropyl-1,3-oxazole-4-carboxylic acid
CID 28064056
5-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid
CID 66792744
5-(Oxan-4-yl)-1,3-oxazole-4-carboxylic acid
CID 62906595
Ethyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 132397610
Methyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 136574247
Methyl 5-(piperidin-3-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 137943148
Ethyl 5-isopropyloxazole-4-carboxylate
CID 12214103

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate (CID 175783285) is ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1[C@H](C)CC.
What is the InChIKey of ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is NTUYYOJTBSPTEL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-7(3)9-8(11-6-14-9)10(12)13-5-2/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate?
ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2R)-butan-2-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 175783285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).