2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde

C12H10ClNO2 — CID 115086804

IUPAC2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C12H10ClNO2/c13-11-4-2-1-3-9(11)7-12-14-8-10(16-12)5-6-15/h1-4,6,8H,5,7H2
InChIKeyRJTNCUFVUSRKFW-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.66
Rot. Bonds4

About 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde

2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde (PubChem CID 115086804) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
PubChem CID115086804
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C12H10ClNO2/c13-11-4-2-1-3-9(11)7-12-14-8-10(16-12)5-6-15/h1-4,6,8H,5,7H2
InChIKeyRJTNCUFVUSRKFW-UHFFFAOYSA-N
XLogP2.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115086793
2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087564
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]ethanone
CID 58554501
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one
CID 115086811
[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086764
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 55039546
5-[(2-chlorophenyl)methyl]-2-fluoropyridine-3-carbaldehyde
CID 123141448
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086163
2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
CID 22970918
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141138
2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine
CID 158566394
3-[(2-chlorophenyl)methoxy]propanal
CID 63038724

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde (CID 115086804) is 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde is O=CCc1cnc(Cc2ccccc2Cl)o1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The InChIKey is RJTNCUFVUSRKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-11-4-2-1-3-9(11)7-12-14-8-10(16-12)5-6-15/h1-4,6,8H,5,7H2.
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde has a molecular weight of 235.67 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde is sourced from PubChem (CID 115086804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).