2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde

C10H14N2O2 — CID 112712822

IUPAC2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde
SMILESCc1nc(N2CCCC2)oc1CC=O
InChIInChI=1S/C10H14N2O2/c1-8-9(4-7-13)14-10(11-8)12-5-2-3-6-12/h7H,2-6H2,1H3
InChIKeyBOGDRHQFJWGDMK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.32
Rot. Bonds3

About 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde

2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde (PubChem CID 112712822) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde
PubChem CID112712822
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde
SMILESCc1nc(N2CCCC2)oc1CC=O
InChIInChI=1S/C10H14N2O2/c1-8-9(4-7-13)14-10(11-8)12-5-2-3-6-12/h7H,2-6H2,1H3
InChIKeyBOGDRHQFJWGDMK-UHFFFAOYSA-N
XLogP1.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde 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-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanamine
CID 83879439
4-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carbaldehyde
CID 112713700
2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde
CID 89032538
2-methyl-5-piperidin-1-yl-1,2,4-triazole-3-carbaldehyde
CID 83878940
1-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-ol
CID 83484768
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CID 80732052
5,6-dimethyl-3-piperidin-1-yl-1,2,4-triazine
CID 130168376
1-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745478
4-(fluoromethyl)-2-piperidin-1-yl-1,3-oxazole-5-carboxylic acid
CID 70890822
N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 62746380
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 122356550

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde?
The IUPAC name of 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde (CID 112712822) is 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde is Cc1nc(N2CCCC2)oc1CC=O.
What is the InChIKey of 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde?
The InChIKey is BOGDRHQFJWGDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-9(4-7-13)14-10(11-8)12-5-2-3-6-12/h7H,2-6H2,1H3.
What are the key properties of 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde?
2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyrrolidin-1-yl-1,3-oxazol-5-yl)acetaldehyde is sourced from PubChem (CID 112712822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).