2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde

C10H10N2O2 — CID 115222967

IUPAC2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde
SMILESO=CCNCc1ccc2ncoc2c1
InChIInChI=1S/C10H10N2O2/c13-4-3-11-6-8-1-2-9-10(5-8)14-7-12-9/h1-2,4-5,7,11H,3,6H2
InChIKeyAAVJOFBOXPJNPI-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.12
Rot. Bonds4

About 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde

2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde (PubChem CID 115222967) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde
PubChem CID115222967
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde
SMILESO=CCNCc1ccc2ncoc2c1
InChIInChI=1S/C10H10N2O2/c13-4-3-11-6-8-1-2-9-10(5-8)14-7-12-9/h1-2,4-5,7,11H,3,6H2
InChIKeyAAVJOFBOXPJNPI-UHFFFAOYSA-N
XLogP1.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzoxazol-6-yl)-N-(chloromethyl)methanamine
CID 115263067
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
N-(1,3-benzoxazol-6-ylmethyl)-2-chloroethanamine
CID 115214866
N'-(1,3-benzoxazol-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205865
1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine
CID 115256700
1-N-(1,3-benzoxazol-6-ylmethyl)butane-1,3-diamine
CID 115199329
1-amino-3-(1,3-benzoxazol-6-ylmethylamino)propan-2-ol
CID 115121411
4-(1,3-benzoxazol-6-ylmethylamino)-3-hydroxybutanoic acid
CID 115123039
2-[(1,3-benzoxazol-6-ylmethylamino)methyl]-3-methylbutanoic acid
CID 115250335
N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide
CID 115163001
1,3-benzoxazol-6-ylmethanamine
CID 55219292
N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde?
The IUPAC name of 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde (CID 115222967) is 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde.
What is the SMILES notation for 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde?
The canonical SMILES for 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde is O=CCNCc1ccc2ncoc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde?
The InChIKey is AAVJOFBOXPJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-4-3-11-6-8-1-2-9-10(5-8)14-7-12-9/h1-2,4-5,7,11H,3,6H2.
What are the key properties of 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde?
2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde is sourced from PubChem (CID 115222967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).