5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde

C10H5Cl2NO2 — CID 102261451

IUPAC5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1nc(-c2cccc(Cl)c2)oc1Cl
InChIInChI=1S/C10H5Cl2NO2/c11-7-3-1-2-6(4-7)10-13-8(5-14)9(12)15-10/h1-5H
InChIKeyRCYZUCDEGNKZBE-UHFFFAOYSA-N
MW242.06 g/mol
LogP3.46
Rot. Bonds2

About 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde

5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 102261451) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde
PubChem CID102261451
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1nc(-c2cccc(Cl)c2)oc1Cl
InChIInChI=1S/C10H5Cl2NO2/c11-7-3-1-2-6(4-7)10-13-8(5-14)9(12)15-10/h1-5H
InChIKeyRCYZUCDEGNKZBE-UHFFFAOYSA-N
XLogP3.46
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 84700893
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-(3,4-dichlorophenyl)-5-methyl-1,3-oxazole-4-carbaldehyde
CID 122477206
2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 4574879
2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole
CID 141112908
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
3-(5,7-dichloro-1,3-benzoxazol-2-yl)benzaldehyde
CID 50850274
2-(3-chlorophenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358054
5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 139231572
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 94980359
5-(3-chlorophenyl)-2-methylfuran-3-carbaldehyde
CID 87480512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde (CID 102261451) is 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde is O=Cc1nc(-c2cccc(Cl)c2)oc1Cl.
What is the InChIKey of 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde?
The InChIKey is RCYZUCDEGNKZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-7-3-1-2-6(4-7)10-13-8(5-14)9(12)15-10/h1-5H.
What are the key properties of 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde?
5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde has a molecular weight of 242.06 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 102261451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).