2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide

C21H17N3O4 — CID 16867077

IUPAC2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
SMILESCOc1cccc(-c2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)no2)c1
InChIInChI=1S/C21H17N3O4/c1-27-15-6-4-5-13(9-15)19-10-14(24-28-19)11-23-21(26)20(25)17-12-22-18-8-3-2-7-16(17)18/h2-10,12,22H,11H2,1H3,(H,23,26)
InChIKeyVGWMRERTAKRMDU-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.33
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide (PubChem CID 16867077) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
PubChem CID16867077
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
SMILESCOc1cccc(-c2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)no2)c1
InChIInChI=1S/C21H17N3O4/c1-27-15-6-4-5-13(9-15)19-10-14(24-28-19)11-23-21(26)20(25)17-12-22-18-8-3-2-7-16(17)18/h2-10,12,22H,11H2,1H3,(H,23,26)
InChIKeyVGWMRERTAKRMDU-UHFFFAOYSA-N
XLogP3.33
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27370104
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27567898
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide
CID 45497746
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 16869514
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 91778429
5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 110619594
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866990
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide (CID 16867077) is 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide is COc1cccc(-c2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)no2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide?
The InChIKey is VGWMRERTAKRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-15-6-4-5-13(9-15)19-10-14(24-28-19)11-23-21(26)20(25)17-12-22-18-8-3-2-7-16(17)18/h2-10,12,22H,11H2,1H3,(H,23,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide has a molecular weight of 375.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide is sourced from PubChem (CID 16867077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).