N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

C21H16N4O2 — CID 118335610

IUPACN-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cn(Cc2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C21H16N4O2/c1-14-18(13-27-24-14)21(26)23-19-12-25(20-5-3-2-4-17(19)20)11-16-8-6-15(10-22)7-9-16/h2-9,12-13H,11H2,1H3,(H,23,26)
InChIKeyPUTFDQKNUAIUHO-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.11
Rot. Bonds4

About N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118335610) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID118335610
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cn(Cc2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C21H16N4O2/c1-14-18(13-27-24-14)21(26)23-19-12-25(20-5-3-2-4-17(19)20)11-16-8-6-15(10-22)7-9-16/h2-9,12-13H,11H2,1H3,(H,23,26)
InChIKeyPUTFDQKNUAIUHO-UHFFFAOYSA-N
XLogP4.11
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 118335610) is N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1cn(Cc2ccc(C#N)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PUTFDQKNUAIUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14-18(13-27-24-14)21(26)23-19-12-25(20-5-3-2-4-17(19)20)11-16-8-6-15(10-22)7-9-16/h2-9,12-13H,11H2,1H3,(H,23,26).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118335610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).