(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one

C18H14N4O4 — CID 7348560

IUPAC(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)[C@@]2(OC(c3ccncc3)=NN2C(C)=O)c2ccccc21
InChIInChI=1S/C18H14N4O4/c1-11(23)21-15-6-4-3-5-14(15)18(17(21)25)22(12(2)24)20-16(26-18)13-7-9-19-10-8-13/h3-10H,1-2H3/t18-/m0/s1
InChIKeyZDUUTOJGESEYOY-SFHVURJKSA-N
MW350.33 g/mol
LogP1.37
Rot. Bonds1

About (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one

(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one (PubChem CID 7348560) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
PubChem CID7348560
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)[C@@]2(OC(c3ccncc3)=NN2C(C)=O)c2ccccc21
InChIInChI=1S/C18H14N4O4/c1-11(23)21-15-6-4-3-5-14(15)18(17(21)25)22(12(2)24)20-16(26-18)13-7-9-19-10-8-13/h3-10H,1-2H3/t18-/m0/s1
InChIKeyZDUUTOJGESEYOY-SFHVURJKSA-N
XLogP1.37
TPSA92.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
CID 7348558
1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
CID 5270582
[4-(4-acetyl-2'-oxospiro[1,3,4-oxadiazole-5,3'-1H-indole]-2-yl)phenyl] acetate
CID 5296623
1-acetyl-3,3-diethylindol-2-one
CID 59379162
1-(2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 54578785
(1S,5R,6R)-1'-acetylspiro[2,7-dioxabicyclo[3.2.0]hept-3-ene-6,3'-indole]-2'-one
CID 11821233
1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one
CID 10737820
1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
CID 101072475
CID 57409056
CID 57409056
(1S,9R,11S,14S)-1',8-diacetyl-14-methyl-12-phenylspiro[10,15,17,18-tetraoxa-8,13-diazapentacyclo[7.6.2.111,14.01,9.02,7]octadeca-2,4,6,12-tetraene-16,3'-indole]-2'-one
CID 102213359
(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 26183224
1-acetyl-3-benzyl-3-methylindol-2-one
CID 102230524

Frequently Asked Questions

What is the IUPAC name of (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one?
The IUPAC name of (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one (CID 7348560) is (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one is CC(=O)N1C(=O)[C@@]2(OC(c3ccncc3)=NN2C(C)=O)c2ccccc21.
What is the InChIKey of (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one?
The InChIKey is ZDUUTOJGESEYOY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-11(23)21-15-6-4-3-5-14(15)18(17(21)25)22(12(2)24)20-16(26-18)13-7-9-19-10-8-13/h3-10H,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one?
(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one has a molecular weight of 350.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one is sourced from PubChem (CID 7348560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).