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

C12H10ClNO3 — CID 122476580

IUPAC2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde
SMILESCOCc1oc(-c2ccc(Cl)cc2)nc1C=O
InChIInChI=1S/C12H10ClNO3/c1-16-7-11-10(6-15)14-12(17-11)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyUNPZZLKPGHWORD-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.95
Rot. Bonds4

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

2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 122476580) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde
PubChem CID122476580
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde
SMILESCOCc1oc(-c2ccc(Cl)cc2)nc1C=O
InChIInChI=1S/C12H10ClNO3/c1-16-7-11-10(6-15)14-12(17-11)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyUNPZZLKPGHWORD-UHFFFAOYSA-N
XLogP2.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Romazarit
CID 71321
Methyl 2-(4-chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 1484190
5-Methyl-2-phenyl-4-oxazolecarboxamide
CID 100344
2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol
CID 725585
2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 1486770
5-[4-[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid
CID 21866604
Methyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate
CID 3310118
4-(Chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
CID 3613658
4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 9794289
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 7131527
Ethyl 2-(4-chlorophenyl)-5-(2-furyl)-4-oxzoleacetate
CID 139577
Benzyl 2-(3-chlorophenyl)oxazole-4-carboxylate
CID 46201382

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde (CID 122476580) is 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde is COCc1oc(-c2ccc(Cl)cc2)nc1C=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde?
The InChIKey is UNPZZLKPGHWORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-16-7-11-10(6-15)14-12(17-11)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde?
2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde has a molecular weight of 251.67 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 122476580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).