N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

C14H18N4O — CID 107856398

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NC2Cc3ccccc3C2)o1
InChIInChI=1S/C14H18N4O/c1-2-15-9-13-17-18-14(19-13)16-12-7-10-5-3-4-6-11(10)8-12/h3-6,12,15H,2,7-9H2,1H3,(H,16,18)
InChIKeyMTWMLPLTQAYKCJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.76
Rot. Bonds5

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

N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107856398) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID107856398
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NC2Cc3ccccc3C2)o1
InChIInChI=1S/C14H18N4O/c1-2-15-9-13-17-18-14(19-13)16-12-7-10-5-3-4-6-11(10)8-12/h3-6,12,15H,2,7-9H2,1H3,(H,16,18)
InChIKeyMTWMLPLTQAYKCJ-UHFFFAOYSA-N
XLogP1.76
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 107856398) is N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NC2Cc3ccccc3C2)o1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MTWMLPLTQAYKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-9-13-17-18-14(19-13)16-12-7-10-5-3-4-6-11(10)8-12/h3-6,12,15H,2,7-9H2,1H3,(H,16,18).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 258.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107856398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).