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'}

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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).