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

C11H12N2O2 — CID 116954230

IUPAC2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
SMILESCNC(C=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C11H12N2O2/c1-7-13-9-5-8(10(6-14)12-2)3-4-11(9)15-7/h3-6,10,12H,1-2H3
InChIKeyBNGYNEMESCZGTM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.60
Rot. Bonds3

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

2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde (PubChem CID 116954230) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
PubChem CID116954230
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
SMILESCNC(C=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C11H12N2O2/c1-7-13-9-5-8(10(6-14)12-2)3-4-11(9)15-7/h3-6,10,12H,1-2H3
InChIKeyBNGYNEMESCZGTM-UHFFFAOYSA-N
XLogP1.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
2-amino-3-(methylamino)-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116957401
N,N',N'-trimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)methanediamine
CID 116909296
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
1-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116958064
2-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116953844
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945914
[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116959513
3,4-dihydroxy-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 171877909

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde?
The IUPAC name of 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde (CID 116954230) is 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde is CNC(C=O)c1ccc2oc(C)nc2c1.
What is the InChIKey of 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde?
The InChIKey is BNGYNEMESCZGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-13-9-5-8(10(6-14)12-2)3-4-11(9)15-7/h3-6,10,12H,1-2H3.
What are the key properties of 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde?
2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde is sourced from PubChem (CID 116954230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).