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

C13H11N5O2 — CID 65406481

IUPAC4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C13H11N5O2/c14-11-10(16-20-17-11)13-15-12(18-19-13)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,14,17)
InChIKeyOQOVCQAYAQTYSL-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.58
Rot. Bonds2

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

4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 65406481) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID65406481
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C13H11N5O2/c14-11-10(16-20-17-11)13-15-12(18-19-13)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,14,17)
InChIKeyOQOVCQAYAQTYSL-UHFFFAOYSA-N
XLogP1.58
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine with MolForge

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Related Compounds

3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 65414515
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62807856
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65415115
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 65414106
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63259990
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62808218
5-(1-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazole
CID 65415290
N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine
CID 65405431
5-(2,3,6,7-tetrahydro-1H-azepin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 136570399
4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 686448
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157766
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881220

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 65406481) is 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(C2Cc3ccccc3C2)no1.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is OQOVCQAYAQTYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-11-10(16-20-17-11)13-15-12(18-19-13)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,14,17).
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 269.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 65406481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).