4-(ethoxymethyl)-1,2-oxazole-3-carboxamide

C7H10N2O3 — CID 66832011

IUPAC4-(ethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCOCc1conc1C(N)=O
InChIInChI=1S/C7H10N2O3/c1-2-11-3-5-4-12-9-6(5)7(8)10/h4H,2-3H2,1H3,(H2,8,10)
InChIKeyBUEFBFATAPMGHO-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.31
Rot. Bonds4

About 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide

4-(ethoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66832011) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(ethoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66832011
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-(ethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCOCc1conc1C(N)=O
InChIInChI=1S/C7H10N2O3/c1-2-11-3-5-4-12-9-6(5)7(8)10/h4H,2-3H2,1H3,(H2,8,10)
InChIKeyBUEFBFATAPMGHO-UHFFFAOYSA-N
XLogP0.31
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide (CID 66832011) is 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide is CCOCc1conc1C(N)=O.
What is the InChIKey of 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BUEFBFATAPMGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-11-3-5-4-12-9-6(5)7(8)10/h4H,2-3H2,1H3,(H2,8,10).
What are the key properties of 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide?
4-(ethoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 170.17 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66832011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).