1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one

C28H21N3O3 — CID 4055016

IUPAC1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12Oc1ccccc1C1C=C(c3ccco3)NN12
InChIInChI=1S/C28H21N3O3/c32-27-28(21-12-5-6-13-23(21)30(27)18-19-9-2-1-3-10-19)31-24(20-11-4-7-14-25(20)34-28)17-22(29-31)26-15-8-16-33-26/h1-17,24,29H,18H2
InChIKeyUKANXMMFSKLQKE-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.97
Rot. Bonds3

About 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one

1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one (PubChem CID 4055016) has the molecular formula C28H21N3O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
PubChem CID4055016
Molecular FormulaC28H21N3O3
Molecular Weight447.49 g/mol
Exact Mass447.16
IUPAC Name1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12Oc1ccccc1C1C=C(c3ccco3)NN12
InChIInChI=1S/C28H21N3O3/c32-27-28(21-12-5-6-13-23(21)30(27)18-19-9-2-1-3-10-19)31-24(20-11-4-7-14-25(20)34-28)17-22(29-31)26-15-8-16-33-26/h1-17,24,29H,18H2
InChIKeyUKANXMMFSKLQKE-UHFFFAOYSA-N
XLogP4.97
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
CID 132554346
(1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione
CID 154716646
(3S)-1,3-dibenzyl-3-benzylsulfanylindol-2-one
CID 122210430
(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180622
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[(4-nitrophenyl)methyl]indol-2-one
CID 7353308
1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714506
CID 102218446
CID 102218446
5-bromo-9'-chloro-2'-phenylspiro[1H-indole-3,5'-3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine]-2-one
CID 3586890
(5E)-1-benzyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288288
(3aR,6R,7aR)-N,1'-dibenzyl-2,2-dimethyl-2'-oxo-N-phenylspiro[7,7a-dihydro-3aH-1,3-benzodioxole-6,3'-indole]-5-carboxamide
CID 11512525

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The IUPAC name of 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one (CID 4055016) is 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The canonical SMILES for 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one is O=C1N(Cc2ccccc2)c2ccccc2C12Oc1ccccc1C1C=C(c3ccco3)NN12.
What is the InChIKey of 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The InChIKey is UKANXMMFSKLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3/c32-27-28(21-12-5-6-13-23(21)30(27)18-19-9-2-1-3-10-19)31-24(20-11-4-7-14-25(20)34-28)17-22(29-31)26-15-8-16-33-26/h1-17,24,29H,18H2.
What are the key properties of 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one has a molecular weight of 447.49 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-2-(furan-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one is sourced from PubChem (CID 4055016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).