5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde

C14H12N2O2 — CID 82388023

IUPAC5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde
SMILESCc1cccc2c(Cc3oncc3C=O)c[nH]c12
InChIInChI=1S/C14H12N2O2/c1-9-3-2-4-12-10(6-15-14(9)12)5-13-11(8-17)7-16-18-13/h2-4,6-8,15H,5H2,1H3
InChIKeyAXRMWQLDRMKMPE-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.87
Rot. Bonds3

About 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde

5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde (PubChem CID 82388023) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde
PubChem CID82388023
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde
SMILESCc1cccc2c(Cc3oncc3C=O)c[nH]c12
InChIInChI=1S/C14H12N2O2/c1-9-3-2-4-12-10(6-15-14(9)12)5-13-11(8-17)7-16-18-13/h2-4,6-8,15H,5H2,1H3
InChIKeyAXRMWQLDRMKMPE-UHFFFAOYSA-N
XLogP2.87
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.87
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

5-[(4-hydroxy-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde
CID 82387089
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
3-(aminomethyl)-1H-indole-7-carbaldehyde
CID 88961406
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
3-(ethoxymethyl)-7-methyl-1H-indole
CID 117186252
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
tert-butyl-dimethyl-[2-(7-methyl-1H-indol-3-yl)ethoxy]silane
CID 141078795
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium
CID 170598949
7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236
N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 169029481

Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde (CID 82388023) is 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde is Cc1cccc2c(Cc3oncc3C=O)c[nH]c12.
What is the InChIKey of 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde?
The InChIKey is AXRMWQLDRMKMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-3-2-4-12-10(6-15-14(9)12)5-13-11(8-17)7-16-18-13/h2-4,6-8,15H,5H2,1H3.
What are the key properties of 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde?
5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-1H-indol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 82388023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).