2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde

C11H12N2O2 — CID 115222828

IUPAC2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde
SMILESCc1nc2cc(N(C)CC=O)ccc2o1
InChIInChI=1S/C11H12N2O2/c1-8-12-10-7-9(13(2)5-6-14)3-4-11(10)15-8/h3-4,6-7H,5H2,1-2H3
InChIKeyVONCCYSJHVYMMP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.77
Rot. Bonds3

About 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde

2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde (PubChem CID 115222828) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde
PubChem CID115222828
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde
SMILESCc1nc2cc(N(C)CC=O)ccc2o1
InChIInChI=1S/C11H12N2O2/c1-8-12-10-7-9(13(2)5-6-14)3-4-11(10)15-8/h3-4,6-7H,5H2,1-2H3
InChIKeyVONCCYSJHVYMMP-UHFFFAOYSA-N
XLogP1.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]ethanethiol
CID 115223857
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
CID 115166115
3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol
CID 115251983
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327
[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methanethiol
CID 115227813
2-amino-3-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179238
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
2-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]acetonitrile
CID 115130898
N,N-dimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimidamide
CID 58408180
1-[[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115242854
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
5-chloro-2-methyl-1,3-benzoxazole
CID 29510

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde?
The IUPAC name of 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde (CID 115222828) is 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde?
The canonical SMILES for 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde is Cc1nc2cc(N(C)CC=O)ccc2o1.
What is the InChIKey of 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde?
The InChIKey is VONCCYSJHVYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-12-10-7-9(13(2)5-6-14)3-4-11(10)15-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde?
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde is sourced from PubChem (CID 115222828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).