4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one

C25H17N3O2 — CID 10572539

IUPAC4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2C12ON=C(c1ccccc1)N2c1ccc2ccccc2c1
InChIInChI=1S/C25H17N3O2/c29-24-25(21-12-6-7-13-22(21)26-24)28(23(27-30-25)18-9-2-1-3-10-18)20-15-14-17-8-4-5-11-19(17)16-20/h1-16H,(H,26,29)
InChIKeyLRBLCDYILYUZLH-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.84
Rot. Bonds2

About 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one

4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one (PubChem CID 10572539) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
PubChem CID10572539
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC Name4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2C12ON=C(c1ccccc1)N2c1ccc2ccccc2c1
InChIInChI=1S/C25H17N3O2/c29-24-25(21-12-6-7-13-22(21)26-24)28(23(27-30-25)18-9-2-1-3-10-18)20-15-14-17-8-4-5-11-19(17)16-20/h1-16H,(H,26,29)
InChIKeyLRBLCDYILYUZLH-UHFFFAOYSA-N
XLogP4.84
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
CID 10596290
(5S)-6'-chloro-3-(4-chlorophenyl)-4-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
CID 127046904
(3S,4'R)-4'-(4-methoxyphenyl)-3'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 12981966
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947
[4-(4-acetyl-2'-oxospiro[1,3,4-oxadiazole-5,3'-1H-indole]-2-yl)phenyl] acetate
CID 5296623
3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one
CID 86100941
(5R,10bS)-9-chloro-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 40596975
9-bromo-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 3799031
(5R)-3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7660202
3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4887717
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
CID 67259157

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one?
The IUPAC name of 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one (CID 10572539) is 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one.
What is the SMILES notation for 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one?
The canonical SMILES for 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one is O=C1Nc2ccccc2C12ON=C(c1ccccc1)N2c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one?
The InChIKey is LRBLCDYILYUZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-24-25(21-12-6-7-13-22(21)26-24)28(23(27-30-25)18-9-2-1-3-10-18)20-15-14-17-8-4-5-11-19(17)16-20/h1-16H,(H,26,29).
What are the key properties of 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one?
4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one has a molecular weight of 391.43 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one is sourced from PubChem (CID 10572539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).