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

C15H17N3O — CID 106894093

IUPACcyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C2Cc3ccccc3C2)n1)C1CC1
InChIInChI=1S/C15H17N3O/c16-13(9-5-6-9)14-17-15(19-18-14)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12-13H,5-8,16H2
InChIKeyISBVLDZAOXKWKI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.36
Rot. Bonds3

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

cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 106894093) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID106894093
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Namecyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C2Cc3ccccc3C2)n1)C1CC1
InChIInChI=1S/C15H17N3O/c16-13(9-5-6-9)14-17-15(19-18-14)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12-13H,5-8,16H2
InChIKeyISBVLDZAOXKWKI-UHFFFAOYSA-N
XLogP2.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine
CID 62589285
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106893117
cyclopropyl-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107002954
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 106894106
[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325661
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine
CID 104504558
[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325038
cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324851
(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
CID 93243858
2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107127579
cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 104672139
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43559769

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 106894093) is cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(C2Cc3ccccc3C2)n1)C1CC1.
What is the InChIKey of cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ISBVLDZAOXKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-13(9-5-6-9)14-17-15(19-18-14)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12-13H,5-8,16H2.
What are the key properties of cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 106894093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).