2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde

C10H8ClNO2 — CID 83884718

IUPAC2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
SMILESCc1nc2cc(CC=O)c(Cl)cc2o1
InChIInChI=1S/C10H8ClNO2/c1-6-12-9-4-7(2-3-13)8(11)5-10(9)14-6/h3-5H,2H2,1H3
InChIKeyWHEZBIYDOBHPGG-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.53
Rot. Bonds2

About 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde

2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde (PubChem CID 83884718) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
PubChem CID83884718
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
SMILESCc1nc2cc(CC=O)c(Cl)cc2o1
InChIInChI=1S/C10H8ClNO2/c1-6-12-9-4-7(2-3-13)8(11)5-10(9)14-6/h3-5H,2H2,1H3
InChIKeyWHEZBIYDOBHPGG-UHFFFAOYSA-N
XLogP2.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.53
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-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde
CID 83884153
2-amino-2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)ethanol
CID 83892730
2-[4-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968865
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde
CID 115222828
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
5-hexyl-2-methyl-1,3-benzoxazol-6-ol
CID 12886748
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
CID 115166115
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
6-fluoro-2-methyl-1,3-benzoxazole-5-thiol
CID 70639266

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde?
The IUPAC name of 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde (CID 83884718) is 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde is Cc1nc2cc(CC=O)c(Cl)cc2o1.
What is the InChIKey of 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde?
The InChIKey is WHEZBIYDOBHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-12-9-4-7(2-3-13)8(11)5-10(9)14-6/h3-5H,2H2,1H3.
What are the key properties of 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde?
2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde has a molecular weight of 209.63 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)acetaldehyde is sourced from PubChem (CID 83884718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).