2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide

C18H19N5O3 — CID 97264932

IUPAC2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)c1cn(CC(=O)Nc2n[nH]c([C@H]3CCCO3)n2)c2ccccc12
InChIInChI=1S/C18H19N5O3/c1-11(24)13-9-23(14-6-3-2-5-12(13)14)10-16(25)19-18-20-17(21-22-18)15-7-4-8-26-15/h2-3,5-6,9,15H,4,7-8,10H2,1H3,(H2,19,20,21,22,25)/t15-/m1/s1
InChIKeyCEMYFHWBQUTQDO-OAHLLOKOSA-N
MW353.38 g/mol
LogP2.45
Rot. Bonds5

About 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide

2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 97264932) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID97264932
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)c1cn(CC(=O)Nc2n[nH]c([C@H]3CCCO3)n2)c2ccccc12
InChIInChI=1S/C18H19N5O3/c1-11(24)13-9-23(14-6-3-2-5-12(13)14)10-16(25)19-18-20-17(21-22-18)15-7-4-8-26-15/h2-3,5-6,9,15H,4,7-8,10H2,1H3,(H2,19,20,21,22,25)/t15-/m1/s1
InChIKeyCEMYFHWBQUTQDO-OAHLLOKOSA-N
XLogP2.45
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
CID 97264147
3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
CID 71710363
3-(5-bromoindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
CID 71701461
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 71703140
N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 97266880
2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 40895432
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide
CID 97265785
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 34548640

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide (CID 97264932) is 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide is CC(=O)c1cn(CC(=O)Nc2n[nH]c([C@H]3CCCO3)n2)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CEMYFHWBQUTQDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11(24)13-9-23(14-6-3-2-5-12(13)14)10-16(25)19-18-20-17(21-22-18)15-7-4-8-26-15/h2-3,5-6,9,15H,4,7-8,10H2,1H3,(H2,19,20,21,22,25)/t15-/m1/s1.
What are the key properties of 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide?
2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 97264932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).