N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide

C16H21N3O3 — CID 95625533

IUPACN-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
SMILESO=C(NCCCOC[C@H]1CCCO1)c1cccc2[nH]ncc12
InChIInChI=1S/C16H21N3O3/c20-16(13-5-1-6-15-14(13)10-18-19-15)17-7-3-8-21-11-12-4-2-9-22-12/h1,5-6,10,12H,2-4,7-9,11H2,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyGSYPOUZWXNBCEH-GFCCVEGCSA-N
MW303.36 g/mol
LogP1.88
Rot. Bonds7

About N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide

N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide (PubChem CID 95625533) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
PubChem CID95625533
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
SMILESO=C(NCCCOC[C@H]1CCCO1)c1cccc2[nH]ncc12
InChIInChI=1S/C16H21N3O3/c20-16(13-5-1-6-15-14(13)10-18-19-15)17-7-3-8-21-11-12-4-2-9-22-12/h1,5-6,10,12H,2-4,7-9,11H2,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyGSYPOUZWXNBCEH-GFCCVEGCSA-N
XLogP1.88
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.88
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

N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
N-(3-formamidopropyl)-1H-indazole-4-carboxamide
CID 110468696
2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 96534569

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide (CID 95625533) is N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide is O=C(NCCCOC[C@H]1CCCO1)c1cccc2[nH]ncc12.
What is the InChIKey of N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide?
The InChIKey is GSYPOUZWXNBCEH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-16(13-5-1-6-15-14(13)10-18-19-15)17-7-3-8-21-11-12-4-2-9-22-12/h1,5-6,10,12H,2-4,7-9,11H2,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide?
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 95625533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).