ethane;4-methoxy-1,2-oxazole-3-carboxamide

C7H12N2O3 — CID 157030900

IUPACethane;4-methoxy-1,2-oxazole-3-carboxamide
SMILESCC.COc1conc1C(N)=O
InChIInChI=1S/C5H6N2O3.C2H6/c1-9-3-2-10-7-4(3)5(6)8;1-2/h2H,1H3,(H2,6,8);1-2H3
InChIKeyGVDDIOPSUWJZAN-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.81
Rot. Bonds2

About ethane;4-methoxy-1,2-oxazole-3-carboxamide

ethane;4-methoxy-1,2-oxazole-3-carboxamide (PubChem CID 157030900) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is ethane;4-methoxy-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Nameethane;4-methoxy-1,2-oxazole-3-carboxamide
PubChem CID157030900
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Nameethane;4-methoxy-1,2-oxazole-3-carboxamide
SMILESCC.COc1conc1C(N)=O
InChIInChI=1S/C5H6N2O3.C2H6/c1-9-3-2-10-7-4(3)5(6)8;1-2/h2H,1H3,(H2,6,8);1-2H3
InChIKeyGVDDIOPSUWJZAN-UHFFFAOYSA-N
XLogP0.81
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1,2-oxazole-3-carboxamide?
The IUPAC name of ethane;4-methoxy-1,2-oxazole-3-carboxamide (CID 157030900) is ethane;4-methoxy-1,2-oxazole-3-carboxamide.
What is the SMILES notation for ethane;4-methoxy-1,2-oxazole-3-carboxamide?
The canonical SMILES for ethane;4-methoxy-1,2-oxazole-3-carboxamide is CC.COc1conc1C(N)=O.
What is the InChIKey of ethane;4-methoxy-1,2-oxazole-3-carboxamide?
The InChIKey is GVDDIOPSUWJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3.C2H6/c1-9-3-2-10-7-4(3)5(6)8;1-2/h2H,1H3,(H2,6,8);1-2H3.
What are the key properties of ethane;4-methoxy-1,2-oxazole-3-carboxamide?
ethane;4-methoxy-1,2-oxazole-3-carboxamide has a molecular weight of 172.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157030900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).