N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C9H13ClN2O3 — CID 114297508

IUPACN-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCOCCCl
InChIInChI=1S/C9H13ClN2O3/c1-7-8(6-12-15-7)9(13)11-3-5-14-4-2-10/h6H,2-5H2,1H3,(H,11,13)
InChIKeyIZMLQFNDGRXJQJ-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.97
Rot. Bonds6

About N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 114297508) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID114297508
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCOCCCl
InChIInChI=1S/C9H13ClN2O3/c1-7-8(6-12-15-7)9(13)11-3-5-14-4-2-10/h6H,2-5H2,1H3,(H,11,13)
InChIKeyIZMLQFNDGRXJQJ-UHFFFAOYSA-N
XLogP0.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682600
N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate
CID 15007138
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335559
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114297735
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
N-(1-chlorobutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114294294

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 114297508) is N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IZMLQFNDGRXJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c1-7-8(6-12-15-7)9(13)11-3-5-14-4-2-10/h6H,2-5H2,1H3,(H,11,13).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 232.67 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 114297508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).