N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide

C20H19N5O2 — CID 53037381

IUPACN-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2nc(-c3ccc(C)cc3)no2)c2ccccc21
InChIInChI=1S/C20H19N5O2/c1-3-21-17(26)12-25-16-7-5-4-6-15(16)18(23-25)20-22-19(24-27-20)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyZJSDSVXFJRDSRY-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide

N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide (PubChem CID 53037381) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide
PubChem CID53037381
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2nc(-c3ccc(C)cc3)no2)c2ccccc21
InChIInChI=1S/C20H19N5O2/c1-3-21-17(26)12-25-16-7-5-4-6-15(16)18(23-25)20-22-19(24-27-20)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyZJSDSVXFJRDSRY-UHFFFAOYSA-N
XLogP3.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid
CID 63106286
2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 53130284
N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide
CID 155682509
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
CID 53082896
1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 53086934
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 50742983
2-[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94683245
2-(3-bromo-2-methylindol-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 71939768
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-phthalazin-1-one
CID 95910199
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
N-ethyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide (CID 53037381) is N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide is CCNC(=O)Cn1nc(-c2nc(-c3ccc(C)cc3)no2)c2ccccc21.
What is the InChIKey of N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide?
The InChIKey is ZJSDSVXFJRDSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-21-17(26)12-25-16-7-5-4-6-15(16)18(23-25)20-22-19(24-27-20)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26).
What are the key properties of N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide?
N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide is sourced from PubChem (CID 53037381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).