3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde

C21H14N4O3 — CID 142897881

IUPAC3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde
SMILESCn1c2ccccc2c2c1ccc(=O)n2-c1ccc(-c2noc(C=O)n2)cc1
InChIInChI=1S/C21H14N4O3/c1-24-16-5-3-2-4-15(16)20-17(24)10-11-19(27)25(20)14-8-6-13(7-9-14)21-22-18(12-26)28-23-21/h2-12H,1H3
InChIKeyVLXGENDUBISMJX-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.34
Rot. Bonds3

About 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde

3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 142897881) has the molecular formula C21H14N4O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID142897881
Molecular FormulaC21H14N4O3
Molecular Weight370.37 g/mol
Exact Mass370.11
IUPAC Name3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde
SMILESCn1c2ccccc2c2c1ccc(=O)n2-c1ccc(-c2noc(C=O)n2)cc1
InChIInChI=1S/C21H14N4O3/c1-24-16-5-3-2-4-15(16)20-17(24)10-11-19(27)25(20)14-8-6-13(7-9-14)21-22-18(12-26)28-23-21/h2-12H,1H3
InChIKeyVLXGENDUBISMJX-UHFFFAOYSA-N
XLogP3.34
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-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

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5H-pyrido[3,2-b]indol-2-one
CID 143136098
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole
CID 160749853
5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499402
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 81492192
9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126550809
5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
CID 59499367
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
5-(4-carbazol-9-ylphenyl)furan-2-carbaldehyde
CID 169332784
5-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499412
5-[4-[3,6-bis(3,6-dimethylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499416

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde (CID 142897881) is 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde is Cn1c2ccccc2c2c1ccc(=O)n2-c1ccc(-c2noc(C=O)n2)cc1.
What is the InChIKey of 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is VLXGENDUBISMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3/c1-24-16-5-3-2-4-15(16)20-17(24)10-11-19(27)25(20)14-8-6-13(7-9-14)21-22-18(12-26)28-23-21/h2-12H,1H3.
What are the key properties of 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde?
3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 370.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-2-oxopyrido[3,2-b]indol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 142897881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).