N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide

C21H19N3O2 — CID 56530041

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide
SMILESCCc1ccc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)on2)cc1
InChIInChI=1S/C21H19N3O2/c1-2-14-7-9-15(10-8-14)19-12-21(26-24-19)23-20(25)11-16-13-22-18-6-4-3-5-17(16)18/h3-10,12-13,22H,2,11H2,1H3,(H,23,25)
InChIKeyDXFDFBIQNVAHPE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.57
Rot. Bonds5

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 56530041) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID56530041
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide
SMILESCCc1ccc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)on2)cc1
InChIInChI=1S/C21H19N3O2/c1-2-14-7-9-15(10-8-14)19-12-21(26-24-19)23-20(25)11-16-13-22-18-6-4-3-5-17(16)18/h3-10,12-13,22H,2,11H2,1H3,(H,23,25)
InChIKeyDXFDFBIQNVAHPE-UHFFFAOYSA-N
XLogP4.57
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110
2-(1H-indol-3-yl)-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)acetamide
CID 53037936
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 56544823
(2S)-3-(1H-indol-3-yl)-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-(methylsulfonylmethylsulfonylamino)propanamide
CID 175597189
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121050894
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
2-(1H-indol-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8533766
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 56544891
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 56530025
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990361
2-(1H-indol-3-yl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]acetamide
CID 113051735

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide (CID 56530041) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide is CCc1ccc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is DXFDFBIQNVAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-14-7-9-15(10-8-14)19-12-21(26-24-19)23-20(25)11-16-13-22-18-6-4-3-5-17(16)18/h3-10,12-13,22H,2,11H2,1H3,(H,23,25).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 56530041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).