N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride

C8H13ClN2O2 — CID 130615848

IUPACN-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCN(C)C(=O)c1cc(C)on1.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-4-10(3)8(11)7-5-6(2)12-9-7;/h5H,4H2,1-3H3;1H
InChIKeyZIAGKDAGESXPJB-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.50
Rot. Bonds2

About N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride

N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 130615848) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID130615848
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC NameN-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCN(C)C(=O)c1cc(C)on1.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-4-10(3)8(11)7-5-6(2)12-9-7;/h5H,4H2,1-3H3;1H
InChIKeyZIAGKDAGESXPJB-UHFFFAOYSA-N
XLogP1.50
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113560
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 126989856
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561
N-ethyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide
CID 60805893
N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 28780674
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 130615848) is N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride is CCN(C)C(=O)c1cc(C)on1.Cl.
What is the InChIKey of N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is ZIAGKDAGESXPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c1-4-10(3)8(11)7-5-6(2)12-9-7;/h5H,4H2,1-3H3;1H.
What are the key properties of N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 130615848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).