3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

C18H14N4O2 — CID 146132936

IUPAC3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESc1coc(-c2cc(-c3nc(C4CCc5ccccc54)no3)[nH]n2)c1
InChIInChI=1S/C18H14N4O2/c1-2-5-12-11(4-1)7-8-13(12)17-19-18(24-22-17)15-10-14(20-21-15)16-6-3-9-23-16/h1-6,9-10,13H,7-8H2,(H,20,21)
InChIKeyWRWDHIRXEZXCHT-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.80
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 146132936) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID146132936
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESc1coc(-c2cc(-c3nc(C4CCc5ccccc54)no3)[nH]n2)c1
InChIInChI=1S/C18H14N4O2/c1-2-5-12-11(4-1)7-8-13(12)17-19-18(24-22-17)15-10-14(20-21-15)16-6-3-9-23-16/h1-6,9-10,13H,7-8H2,(H,20,21)
InChIKeyWRWDHIRXEZXCHT-UHFFFAOYSA-N
XLogP3.80
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94069279
(4R)-1-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 124554718
5-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 65407456
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65408791
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 64981823
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79192547
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79791105
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408029
(1S)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95019751
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109279

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 146132936) is 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is c1coc(-c2cc(-c3nc(C4CCc5ccccc54)no3)[nH]n2)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is WRWDHIRXEZXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-2-5-12-11(4-1)7-8-13(12)17-19-18(24-22-17)15-10-14(20-21-15)16-6-3-9-23-16/h1-6,9-10,13H,7-8H2,(H,20,21).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 318.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 146132936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).