2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide

C26H23N3O3 — CID 53089347

IUPAC2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc4nc(Cc5ccccc5)oc4c3)c2c1
InChIInChI=1S/C26H23N3O3/c1-31-20-8-10-22-21(15-20)19(16-28-22)11-12-27-26(30)18-7-9-23-24(14-18)32-25(29-23)13-17-5-3-2-4-6-17/h2-10,14-16,28H,11-13H2,1H3,(H,27,30)
InChIKeyBAEBMVHZWWGYFN-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.88
Rot. Bonds7

About 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide

2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 53089347) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID53089347
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc4nc(Cc5ccccc5)oc4c3)c2c1
InChIInChI=1S/C26H23N3O3/c1-31-20-8-10-22-21(15-20)19(16-28-22)11-12-27-26(30)18-7-9-23-24(14-18)32-25(29-23)13-17-5-3-2-4-6-17/h2-10,14-16,28H,11-13H2,1H3,(H,27,30)
InChIKeyBAEBMVHZWWGYFN-UHFFFAOYSA-N
XLogP4.88
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
2-[(4-methoxyphenyl)methyl]-N-(3-methylsulfanylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25302746
2-benzyl-N-(2-thiophen-2-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089382
2-[(4-methoxyphenyl)methyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 72888275
2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089373
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
2-benzyl-N-[3-[benzyl(methyl)amino]propyl]-1,3-benzoxazole-6-carboxamide
CID 53089354
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
CID 42528796

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide (CID 53089347) is 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide is COc1ccc2[nH]cc(CCNC(=O)c3ccc4nc(Cc5ccccc5)oc4c3)c2c1.
What is the InChIKey of 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is BAEBMVHZWWGYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-20-8-10-22-21(15-20)19(16-28-22)11-12-27-26(30)18-7-9-23-24(14-18)32-25(29-23)13-17-5-3-2-4-6-17/h2-10,14-16,28H,11-13H2,1H3,(H,27,30).
What are the key properties of 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).