4-methyl-1,3-oxazole-5-carbonyl chloride

C5H4ClNO2 — CID 2795217

IUPAC4-methyl-1,3-oxazole-5-carbonyl chloride
SMILESCc1ncoc1C(=O)Cl
InChIInChI=1S/C5H4ClNO2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3
InChIKeyYPKNOSGIABPXKS-UHFFFAOYSA-N
MW145.55 g/mol
LogP1.36
Rot. Bonds1

About 4-methyl-1,3-oxazole-5-carbonyl chloride

4-methyl-1,3-oxazole-5-carbonyl chloride (PubChem CID 2795217) has the molecular formula C5H4ClNO2 and a molecular weight of 145.55 g/mol. Its IUPAC name is 4-methyl-1,3-oxazole-5-carbonyl chloride.

Molecular Properties

Compound Name4-methyl-1,3-oxazole-5-carbonyl chloride
PubChem CID2795217
Molecular FormulaC5H4ClNO2
Molecular Weight145.55 g/mol
Exact Mass144.99
IUPAC Name4-methyl-1,3-oxazole-5-carbonyl chloride
SMILESCc1ncoc1C(=O)Cl
InChIInChI=1S/C5H4ClNO2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3
InChIKeyYPKNOSGIABPXKS-UHFFFAOYSA-N
XLogP1.36
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.55
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-methyl-1,3-oxazole-5-carboxylate
CID 46210407
N,N,4-trimethyl-1,3-oxazole-5-carboxamide
CID 79487198
4-methyl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 110686212
N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
CID 79486908
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107157028
methyl N'-methyl-N-(4-methyl-1,3-oxazole-5-carbonyl)carbamimidothioate
CID 123471280
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 110835489
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364085

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-oxazole-5-carbonyl chloride?
The IUPAC name of 4-methyl-1,3-oxazole-5-carbonyl chloride (CID 2795217) is 4-methyl-1,3-oxazole-5-carbonyl chloride.
What is the SMILES notation for 4-methyl-1,3-oxazole-5-carbonyl chloride?
The canonical SMILES for 4-methyl-1,3-oxazole-5-carbonyl chloride is Cc1ncoc1C(=O)Cl.
What is the InChIKey of 4-methyl-1,3-oxazole-5-carbonyl chloride?
The InChIKey is YPKNOSGIABPXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3.
What are the key properties of 4-methyl-1,3-oxazole-5-carbonyl chloride?
4-methyl-1,3-oxazole-5-carbonyl chloride has a molecular weight of 145.55 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-oxazole-5-carbonyl chloride is sourced from PubChem (CID 2795217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).