2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde

C20H16N2O3 — CID 67108937

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde
SMILESCc1noc(C)c1-c1c(-c2ccc(O)cc2)c2ccccc2n1C=O
InChIInChI=1S/C20H16N2O3/c1-12-18(13(2)25-21-12)20-19(14-7-9-15(24)10-8-14)16-5-3-4-6-17(16)22(20)11-23/h3-11,24H,1-2H3
InChIKeyQTJHEWKMGVFPSE-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.32
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde

2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde (PubChem CID 67108937) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde
PubChem CID67108937
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde
SMILESCc1noc(C)c1-c1c(-c2ccc(O)cc2)c2ccccc2n1C=O
InChIInChI=1S/C20H16N2O3/c1-12-18(13(2)25-21-12)20-19(14-7-9-15(24)10-8-14)16-5-3-4-6-17(16)22(20)11-23/h3-11,24H,1-2H3
InChIKeyQTJHEWKMGVFPSE-UHFFFAOYSA-N
XLogP4.32
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethyl)indol-1-yl]-N-hydroxyhexanamide
CID 141736086
6-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyhexanamide
CID 141736087
7-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyheptanamide
CID 141736089
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736090
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736091
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-methylphenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736094
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736095
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methylphenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736096
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methylphenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736097
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methylphenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736098
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)ethyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736099
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methylphenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736100

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde (CID 67108937) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde is Cc1noc(C)c1-c1c(-c2ccc(O)cc2)c2ccccc2n1C=O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde?
The InChIKey is QTJHEWKMGVFPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-18(13(2)25-21-12)20-19(14-7-9-15(24)10-8-14)16-5-3-4-6-17(16)22(20)11-23/h3-11,24H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde has a molecular weight of 332.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde is sourced from PubChem (CID 67108937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).