2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde

C8H12N2O2 — CID 115087536

IUPAC2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde
SMILESCN(C)CCc1ncc(C=O)o1
InChIInChI=1S/C8H12N2O2/c1-10(2)4-3-8-9-5-7(6-11)12-8/h5-6H,3-4H2,1-2H3
InChIKeyQBFPHYTVWFJGLC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.59
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde

2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde (PubChem CID 115087536) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde
PubChem CID115087536
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde
SMILESCN(C)CCc1ncc(C=O)o1
InChIInChI=1S/C8H12N2O2/c1-10(2)4-3-8-9-5-7(6-11)12-8/h5-6H,3-4H2,1-2H3
InChIKeyQBFPHYTVWFJGLC-UHFFFAOYSA-N
XLogP0.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde 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

2-ethyl-1,3-oxazole-5-carbaldehyde
CID 53417038
2-[4-(dimethylamino)butyl]pyrimidine-5-carbaldehyde
CID 96616634
2-(pyrrolidin-3-ylmethyl)-1,3-oxazole-5-carbaldehyde
CID 115085208
5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde
CID 12646496
[5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone
CID 141219969
5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 71337557
5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248
5-(5-methyl-1,3-oxazol-2-yl)pentanal
CID 166976909
4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde
CID 139898299
3-[2-(dimethylamino)ethyl]-1-methylpyrazole-5-carbaldehyde
CID 83817035
2-(5-methylthiophen-2-yl)-1,3-oxazole-5-carbaldehyde
CID 115086456
2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine
CID 105487467

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde (CID 115087536) is 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde is CN(C)CCc1ncc(C=O)o1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde?
The InChIKey is QBFPHYTVWFJGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10(2)4-3-8-9-5-7(6-11)12-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde?
2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde has a molecular weight of 168.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 115087536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).