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

C11H10N2O2 — CID 105454155

IUPAC2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde
SMILESCc1oc(N)nc1-c1ccccc1C=O
InChIInChI=1S/C11H10N2O2/c1-7-10(13-11(12)15-7)9-5-3-2-4-8(9)6-14/h2-6H,1H3,(H2,12,13)
InChIKeyJMEMLWSDHZJPOC-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.04
Rot. Bonds2

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

2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde (PubChem CID 105454155) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde
PubChem CID105454155
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde
SMILESCc1oc(N)nc1-c1ccccc1C=O
InChIInChI=1S/C11H10N2O2/c1-7-10(13-11(12)15-7)9-5-3-2-4-8(9)6-14/h2-6H,1H3,(H2,12,13)
InChIKeyJMEMLWSDHZJPOC-UHFFFAOYSA-N
XLogP2.04
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-methyl-1,3-oxazol-4-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

5-methyl-4-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453412
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde
CID 22507462
2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline
CID 83876961
2-(5-ethyl-2-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105467724
2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde
CID 115017229
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde
CID 132539599
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
2-[2,3,4-tris(2-formylphenyl)-6-methyl-5-(2,3,4,5,6-pentamethylphenyl)phenyl]benzaldehyde
CID 163215546
2-(4-methylfuran-3-yl)benzaldehyde
CID 131007556
[4-(2-formylphenyl)-5-methyl-1,2-oxazol-3-yl]methyl acetate
CID 86666717

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde?
The IUPAC name of 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde (CID 105454155) is 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde?
The canonical SMILES for 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde is Cc1oc(N)nc1-c1ccccc1C=O.
What is the InChIKey of 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde?
The InChIKey is JMEMLWSDHZJPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-10(13-11(12)15-7)9-5-3-2-4-8(9)6-14/h2-6H,1H3,(H2,12,13).
What are the key properties of 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde?
2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde is sourced from PubChem (CID 105454155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).