(1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine

C15H18N4O — CID 72886825

IUPAC(1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESN[C@H]1c2ccccc2C[C@@H]1Nc1nnc(C2CCC2)o1
InChIInChI=1S/C15H18N4O/c16-13-11-7-2-1-4-10(11)8-12(13)17-15-19-18-14(20-15)9-5-3-6-9/h1-2,4,7,9,12-13H,3,5-6,8,16H2,(H,17,19)/t12-,13-/m0/s1
InChIKeyBUTBLDIWFVEWSZ-STQMWFEESA-N
MW270.34 g/mol
LogP2.37
Rot. Bonds3

About (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine

(1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 72886825) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID72886825
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESN[C@H]1c2ccccc2C[C@@H]1Nc1nnc(C2CCC2)o1
InChIInChI=1S/C15H18N4O/c16-13-11-7-2-1-4-10(11)8-12(13)17-15-19-18-14(20-15)9-5-3-6-9/h1-2,4,7,9,12-13H,3,5-6,8,16H2,(H,17,19)/t12-,13-/m0/s1
InChIKeyBUTBLDIWFVEWSZ-STQMWFEESA-N
XLogP2.37
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine (CID 72886825) is (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine is N[C@H]1c2ccccc2C[C@@H]1Nc1nnc(C2CCC2)o1.
What is the InChIKey of (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is BUTBLDIWFVEWSZ-STQMWFEESA-N. The full InChI is InChI=1S/C15H18N4O/c16-13-11-7-2-1-4-10(11)8-12(13)17-15-19-18-14(20-15)9-5-3-6-9/h1-2,4,7,9,12-13H,3,5-6,8,16H2,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
(1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 72886825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).