5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde

C14H14N2O2 — CID 89090113

IUPAC5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde
SMILESCC1=NOC(C=O)(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C14H14N2O2/c1-10-6-14(9-17,18-16-10)7-11-8-15-13-5-3-2-4-12(11)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyTZLOZFOINPACPU-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.44
Rot. Bonds3

About 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde

5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde (PubChem CID 89090113) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde
PubChem CID89090113
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde
SMILESCC1=NOC(C=O)(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C14H14N2O2/c1-10-6-14(9-17,18-16-10)7-11-8-15-13-5-3-2-4-12(11)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyTZLOZFOINPACPU-UHFFFAOYSA-N
XLogP2.44
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(1H-indol-3-ylmethyl)-5-methyl-4H-1,2-oxazole-3-carboxylic acid
CID 163460349
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334
3-ethyl-1H-indole;methanamine
CID 142222050
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-ethyl-1H-quinolin-4-one
CID 10374897
N-(2-formyl-1,3-dihydroinden-2-yl)-2-(1H-indol-3-yl)acetamide
CID 89289825
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115189880
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
3-heptyl-1H-indole
CID 15360907
3-but-3-enyl-1H-indole
CID 57142098
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde (CID 89090113) is 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde is CC1=NOC(C=O)(Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde?
The InChIKey is TZLOZFOINPACPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-6-14(9-17,18-16-10)7-11-8-15-13-5-3-2-4-12(11)13/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde?
5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-3-methyl-4H-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 89090113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).