ethane;methyl 1,2-oxazole-5-carboxylate

C7H11NO3 — CID 142544244

IUPACethane;methyl 1,2-oxazole-5-carboxylate
SMILESCC.COC(=O)c1ccno1
InChIInChI=1S/C5H5NO3.C2H6/c1-8-5(7)4-2-3-6-9-4;1-2/h2-3H,1H3;1-2H3
InChIKeySDNJCRPNFOIQBR-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.49
Rot. Bonds1

About ethane;methyl 1,2-oxazole-5-carboxylate

ethane;methyl 1,2-oxazole-5-carboxylate (PubChem CID 142544244) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethane;methyl 1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1,2-oxazole-5-carboxylate
PubChem CID142544244
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethane;methyl 1,2-oxazole-5-carboxylate
SMILESCC.COC(=O)c1ccno1
InChIInChI=1S/C5H5NO3.C2H6/c1-8-5(7)4-2-3-6-9-4;1-2/h2-3H,1H3;1-2H3
InChIKeySDNJCRPNFOIQBR-UHFFFAOYSA-N
XLogP1.49
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1,2-oxazole-5-carboxylate?
The IUPAC name of ethane;methyl 1,2-oxazole-5-carboxylate (CID 142544244) is ethane;methyl 1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethane;methyl 1,2-oxazole-5-carboxylate?
The canonical SMILES for ethane;methyl 1,2-oxazole-5-carboxylate is CC.COC(=O)c1ccno1.
What is the InChIKey of ethane;methyl 1,2-oxazole-5-carboxylate?
The InChIKey is SDNJCRPNFOIQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3.C2H6/c1-8-5(7)4-2-3-6-9-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;methyl 1,2-oxazole-5-carboxylate?
ethane;methyl 1,2-oxazole-5-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1,2-oxazole-5-carboxylate is sourced from PubChem (CID 142544244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).