5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide

C7H9ClN2O2 — CID 118543057

IUPAC5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(CCl)on1
InChIInChI=1S/C7H9ClN2O2/c1-10(2)7(11)6-3-5(4-8)12-9-6/h3H,4H2,1-2H3
InChIKeyNLBQUWJSEJRKAN-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.12
Rot. Bonds2

About 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide

5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 118543057) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID118543057
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(CCl)on1
InChIInChI=1S/C7H9ClN2O2/c1-10(2)7(11)6-3-5(4-8)12-9-6/h3H,4H2,1-2H3
InChIKeyNLBQUWJSEJRKAN-UHFFFAOYSA-N
XLogP1.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-(chloromethyl)-1,2-oxazol-3-yl]-2-hydroxyethanone
CID 158373932
5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 131122642
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107490905
N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 24859867
1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone
CID 130857119
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79651931
2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120518666
5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide
CID 79119889

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide (CID 118543057) is 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide is CN(C)C(=O)c1cc(CCl)on1.
What is the InChIKey of 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is NLBQUWJSEJRKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-10(2)7(11)6-3-5(4-8)12-9-6/h3H,4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide?
5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 188.61 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118543057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).