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

C16H14N4O — CID 104899226

IUPAC5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccnc(-c2noc([C@@H]3Cc4ccccc4N3)n2)c1
InChIInChI=1S/C16H14N4O/c1-10-6-7-17-13(8-10)15-19-16(21-20-15)14-9-11-4-2-3-5-12(11)18-14/h2-8,14,18H,9H2,1H3/t14-/m0/s1
InChIKeyHIJIFCSQJDQTTO-AWEZNQCLSA-N
MW278.31 g/mol
LogP3.15
Rot. Bonds2

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

5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 104899226) 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-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID104899226
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccnc(-c2noc([C@@H]3Cc4ccccc4N3)n2)c1
InChIInChI=1S/C16H14N4O/c1-10-6-7-17-13(8-10)15-19-16(21-20-15)14-9-11-4-2-3-5-12(11)18-14/h2-8,14,18H,9H2,1H3/t14-/m0/s1
InChIKeyHIJIFCSQJDQTTO-AWEZNQCLSA-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-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899212
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-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791
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-methyl-1,2,4-oxadiazole
CID 43111055
3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914942
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43097684
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 166253742
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 104899280
4-[5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807439
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 104899315

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 104899226) is 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole is Cc1ccnc(-c2noc([C@@H]3Cc4ccccc4N3)n2)c1.
What is the InChIKey of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HIJIFCSQJDQTTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-6-7-17-13(8-10)15-19-16(21-20-15)14-9-11-4-2-3-5-12(11)18-14/h2-8,14,18H,9H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-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-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104899226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).