5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine

C15H24N4OS — CID 106970652

IUPAC5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCCC(Nc1nnc(CNC(C)(C)C)o1)c1cccs1
InChIInChI=1S/C15H24N4OS/c1-5-7-11(12-8-6-9-21-12)17-14-19-18-13(20-14)10-16-15(2,3)4/h6,8-9,11,16H,5,7,10H2,1-4H3,(H,17,19)
InChIKeyVDVMFCBCWUTXIF-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.97
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970652) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106970652
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCCC(Nc1nnc(CNC(C)(C)C)o1)c1cccs1
InChIInChI=1S/C15H24N4OS/c1-5-7-11(12-8-6-9-21-12)17-14-19-18-13(20-14)10-16-15(2,3)4/h6,8-9,11,16H,5,7,10H2,1-4H3,(H,17,19)
InChIKeyVDVMFCBCWUTXIF-UHFFFAOYSA-N
XLogP3.97
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970644
5-[(2-methoxyethylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970651
5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962083
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969059
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 97155845
5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971203
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 80807390
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 99821912
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine (CID 106970652) is 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine is CCCC(Nc1nnc(CNC(C)(C)C)o1)c1cccs1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VDVMFCBCWUTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-5-7-11(12-8-6-9-21-12)17-14-19-18-13(20-14)10-16-15(2,3)4/h6,8-9,11,16H,5,7,10H2,1-4H3,(H,17,19).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 308.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).