N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide

C16H19N3O2 — CID 139022303

IUPACN-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide
SMILESO=C(CC1CCC2(CCC2)O1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H19N3O2/c20-15(9-13-4-7-16(21-13)5-1-6-16)18-12-2-3-14-11(8-12)10-17-19-14/h2-3,8,10,13H,1,4-7,9H2,(H,17,19)(H,18,20)
InChIKeyQWSLHOOIKJVBGU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.99
Rot. Bonds3

About N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide

N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide (PubChem CID 139022303) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide
PubChem CID139022303
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide
SMILESO=C(CC1CCC2(CCC2)O1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H19N3O2/c20-15(9-13-4-7-16(21-13)5-1-6-16)18-12-2-3-14-11(8-12)10-17-19-14/h2-3,8,10,13H,1,4-7,9H2,(H,17,19)(H,18,20)
InChIKeyQWSLHOOIKJVBGU-UHFFFAOYSA-N
XLogP2.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440
N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119683903
N-(1H-indazol-5-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119683898
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
2-cyclopentyl-N-(1H-indazol-6-yl)acetamide
CID 47110222
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide?
The IUPAC name of N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide (CID 139022303) is N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide is O=C(CC1CCC2(CCC2)O1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide?
The InChIKey is QWSLHOOIKJVBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(9-13-4-7-16(21-13)5-1-6-16)18-12-2-3-14-11(8-12)10-17-19-14/h2-3,8,10,13H,1,4-7,9H2,(H,17,19)(H,18,20).
What are the key properties of N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide?
N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-(5-oxaspiro[3.4]octan-6-yl)acetamide is sourced from PubChem (CID 139022303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).