2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide

C17H23N3O3 — CID 96534569

IUPAC2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
SMILESO=C(Cc1[nH]nc2ccccc12)NCCCOC[C@H]1CCCO1
InChIInChI=1S/C17H23N3O3/c21-17(11-16-14-6-1-2-7-15(14)19-20-16)18-8-4-9-22-12-13-5-3-10-23-13/h1-2,6-7,13H,3-5,8-12H2,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyQEAQKBHJAYXHMF-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.81
Rot. Bonds8

About 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide

2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide (PubChem CID 96534569) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
PubChem CID96534569
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
SMILESO=C(Cc1[nH]nc2ccccc12)NCCCOC[C@H]1CCCO1
InChIInChI=1S/C17H23N3O3/c21-17(11-16-14-6-1-2-7-15(14)19-20-16)18-8-4-9-22-12-13-5-3-10-23-13/h1-2,6-7,13H,3-5,8-12H2,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyQEAQKBHJAYXHMF-CYBMUJFWSA-N
XLogP1.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 65350539
2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 124559872
5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide
CID 94020822
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
CID 95625533
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124758955

Frequently Asked Questions

What is the IUPAC name of 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide?
The IUPAC name of 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide (CID 96534569) is 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide.
What is the SMILES notation for 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide?
The canonical SMILES for 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide is O=C(Cc1[nH]nc2ccccc12)NCCCOC[C@H]1CCCO1.
What is the InChIKey of 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide?
The InChIKey is QEAQKBHJAYXHMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(11-16-14-6-1-2-7-15(14)19-20-16)18-8-4-9-22-12-13-5-3-10-23-13/h1-2,6-7,13H,3-5,8-12H2,(H,18,21)(H,19,20)/t13-/m1/s1.
What are the key properties of 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide?
2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide is sourced from PubChem (CID 96534569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).