2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide

C11H21N5O2 — CID 106968829

IUPAC2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H21N5O2/c1-11(2,3)13-6-8-14-15-10(18-8)12-7-9(17)16(4)5/h13H,6-7H2,1-5H3,(H,12,15)
InChIKeySMXMEJBNSCHIJR-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.46
Rot. Bonds5

About 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide

2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 106968829) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
PubChem CID106968829
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H21N5O2/c1-11(2,3)13-6-8-14-15-10(18-8)12-7-9(17)16(4)5/h13H,6-7H2,1-5H3,(H,12,15)
InChIKeySMXMEJBNSCHIJR-UHFFFAOYSA-N
XLogP0.46
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106971425
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
N,N-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 103605600
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106963591
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
5-[(tert-butylamino)methyl]-N-(2,2-dimethylheptyl)-1,3,4-oxadiazol-2-amine
CID 106963397
5-[(tert-butylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960373
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide (CID 106968829) is 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is SMXMEJBNSCHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-11(2,3)13-6-8-14-15-10(18-8)12-7-9(17)16(4)5/h13H,6-7H2,1-5H3,(H,12,15).
What are the key properties of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide?
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 255.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 106968829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).