3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline

C17H15N3O — CID 65415115

IUPAC3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cccc(-c2nc(C3Cc4ccccc4C3)no2)c1
InChIInChI=1S/C17H15N3O/c18-15-7-3-6-13(10-15)17-19-16(20-21-17)14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14H,8-9,18H2
InChIKeyKCRXCNGBOPVDBO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.20
Rot. Bonds2

About 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline

3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 65415115) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID65415115
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cccc(-c2nc(C3Cc4ccccc4C3)no2)c1
InChIInChI=1S/C17H15N3O/c18-15-7-3-6-13(10-15)17-19-16(20-21-17)14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14H,8-9,18H2
InChIKeyKCRXCNGBOPVDBO-UHFFFAOYSA-N
XLogP3.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115335898
3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115997583
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 65406481
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 65414515
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 65414106
3-[3-(2-iodophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008151
3-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63743862
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-2-bromoaniline
CID 107813750
3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79664886
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 64982491
5-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 65407456

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 65415115) is 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline is Nc1cccc(-c2nc(C3Cc4ccccc4C3)no2)c1.
What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is KCRXCNGBOPVDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-15-7-3-6-13(10-15)17-19-16(20-21-17)14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14H,8-9,18H2.
What are the key properties of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 277.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 65415115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).