1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one

C22H15N3O3 — CID 158624022

IUPAC1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
SMILESO=C1N(Cc2cccnc2)c2ccccc2C12COc1cc3oncc3cc12
InChIInChI=1S/C22H15N3O3/c26-21-22(13-27-20-9-19-15(8-17(20)22)11-24-28-19)16-5-1-2-6-18(16)25(21)12-14-4-3-7-23-10-14/h1-11H,12-13H2
InChIKeyBZYJAWWLDDIUKA-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.45
Rot. Bonds2

About 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one

1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one (PubChem CID 158624022) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
PubChem CID158624022
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
SMILESO=C1N(Cc2cccnc2)c2ccccc2C12COc1cc3oncc3cc12
InChIInChI=1S/C22H15N3O3/c26-21-22(13-27-20-9-19-15(8-17(20)22)11-24-28-19)16-5-1-2-6-18(16)25(21)12-14-4-3-7-23-10-14/h1-11H,12-13H2
InChIKeyBZYJAWWLDDIUKA-UHFFFAOYSA-N
XLogP3.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-dimethyl-1'-(pyridin-3-ylmethyl)spiro[2,6-dihydrofuro[3,2-f][1]benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 66642694
1'-(pyridin-3-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263507
1'-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642387
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
CID 71036067
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[2,3-f][1,2]benzoxazole-7,3'-indole]-2'-one
CID 71036085
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352709
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
(8S)-1'-[(3-methyl-2-pyridinyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 58224165
1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263445
1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
CID 46195988

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one?
The IUPAC name of 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one (CID 158624022) is 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one?
The canonical SMILES for 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one is O=C1N(Cc2cccnc2)c2ccccc2C12COc1cc3oncc3cc12.
What is the InChIKey of 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one?
The InChIKey is BZYJAWWLDDIUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c26-21-22(13-27-20-9-19-15(8-17(20)22)11-24-28-19)16-5-1-2-6-18(16)25(21)12-14-4-3-7-23-10-14/h1-11H,12-13H2.
What are the key properties of 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one?
1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one has a molecular weight of 369.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-3-ylmethyl)spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one is sourced from PubChem (CID 158624022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).