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

C16H22N4O — CID 106966786

IUPAC5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(Nc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C16H22N4O/c1-16(2,3)17-10-14-19-20-15(21-14)18-13-8-7-11-5-4-6-12(11)9-13/h7-9,17H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyNIFNEYMWBGIGTH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.19
Rot. Bonds4

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

5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966786) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106966786
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(Nc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C16H22N4O/c1-16(2,3)17-10-14-19-20-15(21-14)18-13-8-7-11-5-4-6-12(11)9-13/h7-9,17H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyNIFNEYMWBGIGTH-UHFFFAOYSA-N
XLogP3.19
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
N-(2,3-dihydro-1H-inden-5-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966784
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine
CID 11572645
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960385
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138843
N-(1,3-benzothiazol-6-yl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 107806819
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43524715
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine (CID 106966786) is 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(Nc2ccc3c(c2)CCC3)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NIFNEYMWBGIGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)17-10-14-19-20-15(21-14)18-13-8-7-11-5-4-6-12(11)9-13/h7-9,17H,4-6,10H2,1-3H3,(H,18,20).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).