1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone

C19H16N4O3 — CID 92712941

IUPAC1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2cn(C(C)=O)c3ccccc23)O[C@@H]1c1cccnc1
InChIInChI=1S/C19H16N4O3/c1-12(24)22-11-16(15-7-3-4-8-17(15)22)18-21-23(13(2)25)19(26-18)14-6-5-9-20-10-14/h3-11,19H,1-2H3/t19-/m1/s1
InChIKeyIDTHMWLXCZDLBE-LJQANCHMSA-N
MW348.36 g/mol
LogP2.94
Rot. Bonds2

About 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone

1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone (PubChem CID 92712941) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone
PubChem CID92712941
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2cn(C(C)=O)c3ccccc23)O[C@@H]1c1cccnc1
InChIInChI=1S/C19H16N4O3/c1-12(24)22-11-16(15-7-3-4-8-17(15)22)18-21-23(13(2)25)19(26-18)14-6-5-9-20-10-14/h3-11,19H,1-2H3/t19-/m1/s1
InChIKeyIDTHMWLXCZDLBE-LJQANCHMSA-N
XLogP2.94
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)indol-1-yl]ethanone
CID 10341071
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1-ethyl-3-(4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3545527
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
8-Methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
CID 15176150
3-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethyl-1H-indole
CID 3427821
1-(10-Methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one
CID 49868918
1-(7-Methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one
CID 49869186
2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 3424690
2-(1-Ethylindol-3-yl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 3427820
1-Ethyl-3-[4-(propan-2-YL)-4,5-dihydro-1,3-oxazol-2-YL]-1H-indole
CID 3545526
2-(1-Ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 3545528

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone?
The IUPAC name of 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone (CID 92712941) is 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone is CC(=O)N1N=C(c2cn(C(C)=O)c3ccccc23)O[C@@H]1c1cccnc1.
What is the InChIKey of 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone?
The InChIKey is IDTHMWLXCZDLBE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12(24)22-11-16(15-7-3-4-8-17(15)22)18-21-23(13(2)25)19(26-18)14-6-5-9-20-10-14/h3-11,19H,1-2H3/t19-/m1/s1.
What are the key properties of 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone?
1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone has a molecular weight of 348.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone is sourced from PubChem (CID 92712941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).