2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide

C20H23N3O3 — CID 72867201

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)[nH]c3ccccc23)on1
InChIInChI=1S/C20H23N3O3/c1-12-7-15(26-23-12)8-14-10-25-11-19(14)22-20(24)9-17-13(2)21-18-6-4-3-5-16(17)18/h3-7,14,19,21H,8-11H2,1-2H3,(H,22,24)/t14-,19+/m1/s1
InChIKeyACSCUOFCQLFCLT-KUHUBIRLSA-N
MW353.42 g/mol
LogP2.69
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide (PubChem CID 72867201) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
PubChem CID72867201
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)[nH]c3ccccc23)on1
InChIInChI=1S/C20H23N3O3/c1-12-7-15(26-23-12)8-14-10-25-11-19(14)22-20(24)9-17-13(2)21-18-6-4-3-5-16(17)18/h3-7,14,19,21H,8-11H2,1-2H3,(H,22,24)/t14-,19+/m1/s1
InChIKeyACSCUOFCQLFCLT-KUHUBIRLSA-N
XLogP2.69
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide (CID 72867201) is 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)[nH]c3ccccc23)on1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The InChIKey is ACSCUOFCQLFCLT-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-7-15(26-23-12)8-14-10-25-11-19(14)22-20(24)9-17-13(2)21-18-6-4-3-5-16(17)18/h3-7,14,19,21H,8-11H2,1-2H3,(H,22,24)/t14-,19+/m1/s1.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide is sourced from PubChem (CID 72867201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).