2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide

C8H11ClN2O2 — CID 167926313

IUPAC2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide
SMILESCCc1ncoc1CNC(=O)CCl
InChIInChI=1S/C8H11ClN2O2/c1-2-6-7(13-5-11-6)4-10-8(12)3-9/h5H,2-4H2,1H3,(H,10,12)
InChIKeyFQBAJNDFUWMVGL-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.09
Rot. Bonds4

About 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide

2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide (PubChem CID 167926313) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide
PubChem CID167926313
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide
SMILESCCc1ncoc1CNC(=O)CCl
InChIInChI=1S/C8H11ClN2O2/c1-2-6-7(13-5-11-6)4-10-8(12)3-9/h5H,2-4H2,1H3,(H,10,12)
InChIKeyFQBAJNDFUWMVGL-UHFFFAOYSA-N
XLogP1.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Ethyl-1,3-oxazol-5-yl)methanamine dihydrochloride
CID 165945971
(4-Ethyl-1,3-oxazol-5-yl)methanamine
CID 82418815
Ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
CID 144797685
Ethane;(4-ethyl-1,3-oxazol-5-yl)methanamine
CID 144800394
N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine
CID 163622871
(1S)-1-(4-ethyl-1,3-oxazol-5-yl)ethanamine
CID 82418207
1-(4-ethyl-1,3-oxazol-5-yl)-N-methylmethanamine
CID 84013439
N-methyl-1-(4-propan-2-yl-1,3-oxazol-5-yl)methanamine
CID 84013541
1-(4-tert-butyl-1,3-oxazol-5-yl)-N-methylmethanamine
CID 84013715
N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide
CID 110671154
N-[(4-methyl-1,3-oxazol-5-yl)methyl]pentanamide
CID 110671157
2-Chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130794359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide (CID 167926313) is 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide is CCc1ncoc1CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide?
The InChIKey is FQBAJNDFUWMVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-2-6-7(13-5-11-6)4-10-8(12)3-9/h5H,2-4H2,1H3,(H,10,12).
What are the key properties of 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide?
2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide has a molecular weight of 202.64 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethyl-1,3-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 167926313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).