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

C19H21N5O3 — CID 97264147

IUPAC3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
SMILESCC(=O)c1cn(CCC(=O)Nc2n[nH]c([C@H]3CCCO3)n2)c2ccccc12
InChIInChI=1S/C19H21N5O3/c1-12(25)14-11-24(15-6-3-2-5-13(14)15)9-8-17(26)20-19-21-18(22-23-19)16-7-4-10-27-16/h2-3,5-6,11,16H,4,7-10H2,1H3,(H2,20,21,22,23,26)/t16-/m1/s1
InChIKeyIPRVKVGSNSIOGZ-MRXNPFEDSA-N
MW367.41 g/mol
LogP2.84
Rot. Bonds6

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

3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 97264147) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID97264147
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
SMILESCC(=O)c1cn(CCC(=O)Nc2n[nH]c([C@H]3CCCO3)n2)c2ccccc12
InChIInChI=1S/C19H21N5O3/c1-12(25)14-11-24(15-6-3-2-5-13(14)15)9-8-17(26)20-19-21-18(22-23-19)16-7-4-10-27-16/h2-3,5-6,11,16H,4,7-10H2,1H3,(H2,20,21,22,23,26)/t16-/m1/s1
InChIKeyIPRVKVGSNSIOGZ-MRXNPFEDSA-N
XLogP2.84
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide with MolForge

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Related Compounds

2-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]acetamide
CID 97264932
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-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135636952
3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
CID 97264064
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 56762237
N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 97266880
3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
CID 56762950
2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 40895432
N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide
CID 97265785
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 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide (CID 97264147) is 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide is CC(=O)c1cn(CCC(=O)Nc2n[nH]c([C@H]3CCCO3)n2)c2ccccc12.
What is the InChIKey of 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is IPRVKVGSNSIOGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(25)14-11-24(15-6-3-2-5-13(14)15)9-8-17(26)20-19-21-18(22-23-19)16-7-4-10-27-16/h2-3,5-6,11,16H,4,7-10H2,1H3,(H2,20,21,22,23,26)/t16-/m1/s1.
What are the key properties of 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide?
3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylindol-1-yl)-N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 97264147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).