5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride

C11H8ClNO3 — CID 43840572

IUPAC5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
SMILESCOc1ccc(-c2cc(C(=O)Cl)no2)cc1
InChIInChI=1S/C11H8ClNO3/c1-15-8-4-2-7(3-5-8)10-6-9(11(12)14)13-16-10/h2-6H,1H3
InChIKeyRRRPKKSNNMBCFW-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.73
Rot. Bonds3

About 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride

5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride (PubChem CID 43840572) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
PubChem CID43840572
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
SMILESCOc1ccc(-c2cc(C(=O)Cl)no2)cc1
InChIInChI=1S/C11H8ClNO3/c1-15-8-4-2-7(3-5-8)10-6-9(11(12)14)13-16-10/h2-6H,1H3
InChIKeyRRRPKKSNNMBCFW-UHFFFAOYSA-N
XLogP2.73
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.73
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

N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
(3-bromophenyl) 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 17011041
(2-bromophenyl) 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 17011718
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464
5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 39868246

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride?
The IUPAC name of 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride (CID 43840572) is 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride?
The canonical SMILES for 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride is COc1ccc(-c2cc(C(=O)Cl)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride?
The InChIKey is RRRPKKSNNMBCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-15-8-4-2-7(3-5-8)10-6-9(11(12)14)13-16-10/h2-6H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride?
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride has a molecular weight of 237.64 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride is sourced from PubChem (CID 43840572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).