N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide

C21H21N3O2 — CID 110278666

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NC(C)c3nc4ccccc4o3)cc12
InChIInChI=1S/C21H21N3O2/c1-12-14(3)24(4)18-10-9-15(11-16(12)18)20(25)22-13(2)21-23-17-7-5-6-8-19(17)26-21/h5-11,13H,1-4H3,(H,22,25)
InChIKeyUGLZWSHFHHMKBA-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.43
Rot. Bonds3

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide (PubChem CID 110278666) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide
PubChem CID110278666
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NC(C)c3nc4ccccc4o3)cc12
InChIInChI=1S/C21H21N3O2/c1-12-14(3)24(4)18-10-9-15(11-16(12)18)20(25)22-13(2)21-23-17-7-5-6-8-19(17)26-21/h5-11,13H,1-4H3,(H,22,25)
InChIKeyUGLZWSHFHHMKBA-UHFFFAOYSA-N
XLogP4.43
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide 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

N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110278714
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 110278731
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide
CID 110278892
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide
CID 110278744
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 110278748
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-chloro-5-methylsulfanylbenzamide
CID 110278921
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
CID 110278878
N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
CID 5128643

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide (CID 110278666) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide is Cc1c(C)n(C)c2ccc(C(=O)NC(C)c3nc4ccccc4o3)cc12.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide?
The InChIKey is UGLZWSHFHHMKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-12-14(3)24(4)18-10-9-15(11-16(12)18)20(25)22-13(2)21-23-17-7-5-6-8-19(17)26-21/h5-11,13H,1-4H3,(H,22,25).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide is sourced from PubChem (CID 110278666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).