5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole

C14H11N5O — CID 104899276

IUPAC5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc2c(c1)C[C@@H](c1nc(-c3ccncn3)no1)N2
InChIInChI=1S/C14H11N5O/c1-2-4-10-9(3-1)7-12(17-10)14-18-13(19-20-14)11-5-6-15-8-16-11/h1-6,8,12,17H,7H2/t12-/m0/s1
InChIKeyBMVGQLJDXPRCFQ-LBPRGKRZSA-N
MW265.28 g/mol
LogP2.24
Rot. Bonds2

About 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole

5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole (PubChem CID 104899276) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole
PubChem CID104899276
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc2c(c1)C[C@@H](c1nc(-c3ccncn3)no1)N2
InChIInChI=1S/C14H11N5O/c1-2-4-10-9(3-1)7-12(17-10)14-18-13(19-20-14)11-5-6-15-8-16-11/h1-6,8,12,17H,7H2/t12-/m0/s1
InChIKeyBMVGQLJDXPRCFQ-LBPRGKRZSA-N
XLogP2.24
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899226
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 104899267
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899212
3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43097684
5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 43111055
5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528821
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911446
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436572

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole (CID 104899276) is 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole is c1ccc2c(c1)C[C@@H](c1nc(-c3ccncn3)no1)N2.
What is the InChIKey of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole?
The InChIKey is BMVGQLJDXPRCFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11N5O/c1-2-4-10-9(3-1)7-12(17-10)14-18-13(19-20-14)11-5-6-15-8-16-11/h1-6,8,12,17H,7H2/t12-/m0/s1.
What are the key properties of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole?
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole has a molecular weight of 265.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 104899276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).