5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

C13H21N5O2 — CID 106390517

IUPAC5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(C(C)Nc2nnc(CNC(C)(C)C)o2)o1
InChIInChI=1S/C13H21N5O2/c1-8-6-14-11(19-8)9(2)16-12-18-17-10(20-12)7-15-13(3,4)5/h6,9,15H,7H2,1-5H3,(H,16,18)
InChIKeyMBEPYTDEMSPUKZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.43
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106390517) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106390517
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(C(C)Nc2nnc(CNC(C)(C)C)o2)o1
InChIInChI=1S/C13H21N5O2/c1-8-6-14-11(19-8)9(2)16-12-18-17-10(20-12)7-15-13(3,4)5/h6,9,15H,7H2,1-5H3,(H,16,18)
InChIKeyMBEPYTDEMSPUKZ-UHFFFAOYSA-N
XLogP2.43
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113847649
1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 128990810
1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103893752
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 103946643
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103949075
1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 104579665
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104579734
1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 104579801
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104579848
2-(3-amino-1,2,4-triazol-1-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368601
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371701
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 106371812

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106390517) is 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(C(C)Nc2nnc(CNC(C)(C)C)o2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MBEPYTDEMSPUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8-6-14-11(19-8)9(2)16-12-18-17-10(20-12)7-15-13(3,4)5/h6,9,15H,7H2,1-5H3,(H,16,18).
What are the key properties of 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 279.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106390517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).