4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride

C6H9ClN2O2 — CID 145039930

IUPAC4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCc1conc1C(N)=O.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-2-4-3-10-8-5(4)6(7)9;/h3H,2H2,1H3,(H2,7,9);1H
InChIKeyHKYQJRFLVCXMNA-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.76
Rot. Bonds2

About 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride

4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 145039930) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID145039930
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCc1conc1C(N)=O.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-2-4-3-10-8-5(4)6(7)9;/h3H,2H2,1H3,(H2,7,9);1H
InChIKeyHKYQJRFLVCXMNA-UHFFFAOYSA-N
XLogP0.76
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethoxymethyl)-1,2-oxazole-3-carboxamide
CID 66832011
4-ethyl-1,2-oxazole-3-carboxylic acid
CID 53421780
4-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967791
ethane;4-methoxy-1,2-oxazole-3-carboxamide
CID 157030900
1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine
CID 3045545
3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
CID 82597900
4,5-diethylpyridazine-3-carboxamide
CID 171442930
4-ethyl-3-(fluoromethyl)-1,2-oxazole
CID 170598698
2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 122149596
5-[3-(diethylcarbamoyl)-1,2-oxazol-4-yl]-1,2-oxazole-3-carboxamide
CID 67375713
5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 141301816
(3-methyl-1,2-oxazol-4-yl)methanamine;hydrochloride
CID 71306254

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 145039930) is 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride is CCc1conc1C(N)=O.Cl.
What is the InChIKey of 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is HKYQJRFLVCXMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c1-2-4-3-10-8-5(4)6(7)9;/h3H,2H2,1H3,(H2,7,9);1H.
What are the key properties of 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride?
4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 145039930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).