N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide

C21H17N3O4 — CID 45497746

IUPACN-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O4/c25-21(16-12-22-17-4-2-1-3-15(16)17)23-11-14-10-19(28-24-14)13-5-6-18-20(9-13)27-8-7-26-18/h1-6,9-10,12,22H,7-8,11H2,(H,23,25)
InChIKeyBOYJVCYEIUJOAJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.52
Rot. Bonds4

About N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide

N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide (PubChem CID 45497746) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide
PubChem CID45497746
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O4/c25-21(16-12-22-17-4-2-1-3-15(16)17)23-11-14-10-19(28-24-14)13-5-6-18-20(9-13)27-8-7-26-18/h1-6,9-10,12,22H,7-8,11H2,(H,23,25)
InChIKeyBOYJVCYEIUJOAJ-UHFFFAOYSA-N
XLogP3.52
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-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-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-ethoxypyridine-3-carboxamide
CID 45497752
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-2-fluoroprop-2-enamide
CID 166432299
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 27370196
2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
CID 16867077
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27370104
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1H-indole-3-carboxamide
CID 9399062
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1H-indol-3-yl)ethanone
CID 110655309
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide
CID 31800795
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide (CID 45497746) is N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide is O=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide?
The InChIKey is BOYJVCYEIUJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-21(16-12-22-17-4-2-1-3-15(16)17)23-11-14-10-19(28-24-14)13-5-6-18-20(9-13)27-8-7-26-18/h1-6,9-10,12,22H,7-8,11H2,(H,23,25).
What are the key properties of N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide?
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 45497746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).