3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride

C7H7ClN2O3 — CID 130015991

IUPAC3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride
SMILESCCNC(=O)c1cc(C(=O)Cl)on1
InChIInChI=1S/C7H7ClN2O3/c1-2-9-7(12)4-3-5(6(8)11)13-10-4/h3H,2H2,1H3,(H,9,12)
InChIKeyMQYAANONMMGLFS-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.80
Rot. Bonds3

About 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride

3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride (PubChem CID 130015991) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride.

Molecular Properties

Compound Name3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride
PubChem CID130015991
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride
SMILESCCNC(=O)c1cc(C(=O)Cl)on1
InChIInChI=1S/C7H7ClN2O3/c1-2-9-7(12)4-3-5(6(8)11)13-10-4/h3H,2H2,1H3,(H,9,12)
InChIKeyMQYAANONMMGLFS-UHFFFAOYSA-N
XLogP0.80
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-[[3-(diethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369935
N-ethyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 155273411
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate
CID 124844062
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
3-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369491
3-(3-methylsulfanylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369677
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494

Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride?
The IUPAC name of 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride (CID 130015991) is 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride.
What is the SMILES notation for 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride?
The canonical SMILES for 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride is CCNC(=O)c1cc(C(=O)Cl)on1.
What is the InChIKey of 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride?
The InChIKey is MQYAANONMMGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-2-9-7(12)4-3-5(6(8)11)13-10-4/h3H,2H2,1H3,(H,9,12).
What are the key properties of 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride?
3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride has a molecular weight of 202.60 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoyl)-1,2-oxazole-5-carbonyl chloride is sourced from PubChem (CID 130015991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).