5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

C14H13N5O — CID 65196596

IUPAC5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3Cc4ccccc4N3)n2)cn1
InChIInChI=1S/C14H13N5O/c1-19-8-10(7-15-19)13-17-14(20-18-13)12-6-9-4-2-3-5-11(9)16-12/h2-5,7-8,12,16H,6H2,1H3
InChIKeyWBHAVLHILHNPSC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.18
Rot. Bonds2

About 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 65196596) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID65196596
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3Cc4ccccc4N3)n2)cn1
InChIInChI=1S/C14H13N5O/c1-19-8-10(7-15-19)13-17-14(20-18-13)12-6-9-4-2-3-5-11(9)16-12/h2-5,7-8,12,16H,6H2,1H3
InChIKeyWBHAVLHILHNPSC-UHFFFAOYSA-N
XLogP2.18
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 65196042
5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791
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-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899226
3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832492
5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43097684
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-[(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-(trifluoromethyl)-1,2,4-oxadiazole
CID 104899280
3-(tert-butylsulfanylmethyl)-5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazole
CID 65133684
4-[5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807439

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (CID 65196596) is 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C3Cc4ccccc4N3)n2)cn1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is WBHAVLHILHNPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-19-8-10(7-15-19)13-17-14(20-18-13)12-6-9-4-2-3-5-11(9)16-12/h2-5,7-8,12,16H,6H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65196596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).