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

C16H14N4O — CID 104899212

IUPAC5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cccnc1-c1noc([C@@H]2Cc3ccccc3N2)n1
InChIInChI=1S/C16H14N4O/c1-10-5-4-8-17-14(10)15-19-16(21-20-15)13-9-11-6-2-3-7-12(11)18-13/h2-8,13,18H,9H2,1H3/t13-/m0/s1
InChIKeyADLDEMYIUWMMTP-ZDUSSCGKSA-N
MW278.31 g/mol
LogP3.15
Rot. Bonds2

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

5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 104899212) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID104899212
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cccnc1-c1noc([C@@H]2Cc3ccccc3N2)n1
InChIInChI=1S/C16H14N4O/c1-10-5-4-8-17-14(10)15-19-16(21-20-15)13-9-11-6-2-3-7-12(11)18-13/h2-8,13,18H,9H2,1H3/t13-/m0/s1
InChIKeyADLDEMYIUWMMTP-ZDUSSCGKSA-N
XLogP3.15
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791
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-pyrimidin-4-yl-1,2,4-oxadiazole
CID 104899276
5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 43111055
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 104899267
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-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 104899280
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240288
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 104899315
5-(2,3-dihydro-1H-indol-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808285
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200979

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 104899212) is 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole is Cc1cccnc1-c1noc([C@@H]2Cc3ccccc3N2)n1.
What is the InChIKey of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is ADLDEMYIUWMMTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-5-4-8-17-14(10)15-19-16(21-20-15)13-9-11-6-2-3-7-12(11)18-13/h2-8,13,18H,9H2,1H3/t13-/m0/s1.
What are the key properties of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 278.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104899212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).