5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride

C13H11Cl2NO3 — CID 87276958

IUPAC5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride
SMILESCCOc1cc(Cl)ccc1-c1onc(C(=O)Cl)c1C
InChIInChI=1S/C13H11Cl2NO3/c1-3-18-10-6-8(14)4-5-9(10)12-7(2)11(13(15)17)16-19-12/h4-6H,3H2,1-2H3
InChIKeyMASNTORXYCKMNB-UHFFFAOYSA-N
MW300.14 g/mol
LogP4.08
Rot. Bonds4

About 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride

5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride (PubChem CID 87276958) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride.

Molecular Properties

Compound Name5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride
PubChem CID87276958
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride
SMILESCCOc1cc(Cl)ccc1-c1onc(C(=O)Cl)c1C
InChIInChI=1S/C13H11Cl2NO3/c1-3-18-10-6-8(14)4-5-9(10)12-7(2)11(13(15)17)16-19-12/h4-6H,3H2,1-2H3
InChIKeyMASNTORXYCKMNB-UHFFFAOYSA-N
XLogP4.08
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate
CID 123400941
3-ethoxypyridine-2-carbonyl chloride
CID 142800977
ethyl 2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 106818962
4-chloro-2-ethoxybenzamide
CID 126998915
ethyl 6-chloro-1,2-benzoxazole-3-carboxylate
CID 10823088
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362315
ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate
CID 4026471
3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
CID 82041837
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride
CID 82041781
5-chloro-2-propoxybenzoyl chloride
CID 12863236

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride?
The IUPAC name of 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride (CID 87276958) is 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride.
What is the SMILES notation for 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride?
The canonical SMILES for 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride is CCOc1cc(Cl)ccc1-c1onc(C(=O)Cl)c1C.
What is the InChIKey of 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride?
The InChIKey is MASNTORXYCKMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-3-18-10-6-8(14)4-5-9(10)12-7(2)11(13(15)17)16-19-12/h4-6H,3H2,1-2H3.
What are the key properties of 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride?
5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride has a molecular weight of 300.14 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride is sourced from PubChem (CID 87276958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).