2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde

C11H10N2O2 — CID 178051421

IUPAC2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
SMILESCc1nc(-c2ccc(C)c(C=O)c2)no1
InChIInChI=1S/C11H10N2O2/c1-7-3-4-9(5-10(7)6-14)11-12-8(2)15-13-11/h3-6H,1-2H3
InChIKeyYJVHHGOWMDPXAO-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.17
Rot. Bonds2

About 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde

2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde (PubChem CID 178051421) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
PubChem CID178051421
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
SMILESCc1nc(-c2ccc(C)c(C=O)c2)no1
InChIInChI=1S/C11H10N2O2/c1-7-3-4-9(5-10(7)6-14)11-12-8(2)15-13-11/h3-6H,1-2H3
InChIKeyYJVHHGOWMDPXAO-UHFFFAOYSA-N
XLogP2.17
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde 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

3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
CID 7060547
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365724
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 158020415
3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 86697340
2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
CID 135449004
5-methyl-7-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 90351166
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
3-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 163238615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde?
The IUPAC name of 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde (CID 178051421) is 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde.
What is the SMILES notation for 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde?
The canonical SMILES for 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde is Cc1nc(-c2ccc(C)c(C=O)c2)no1.
What is the InChIKey of 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde?
The InChIKey is YJVHHGOWMDPXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-3-4-9(5-10(7)6-14)11-12-8(2)15-13-11/h3-6H,1-2H3.
What are the key properties of 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde?
2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde is sourced from PubChem (CID 178051421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).