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

C11H21N5O2 — CID 106971425

IUPAC3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H21N5O2/c1-11(2,3)14-7-9-15-16-10(18-9)13-6-5-8(17)12-4/h14H,5-7H2,1-4H3,(H,12,17)(H,13,16)
InChIKeyLMUOBGOPCOBBMC-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.51
Rot. Bonds6

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

3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide (PubChem CID 106971425) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
PubChem CID106971425
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H21N5O2/c1-11(2,3)14-7-9-15-16-10(18-9)13-6-5-8(17)12-4/h14H,5-7H2,1-4H3,(H,12,17)(H,13,16)
InChIKeyLMUOBGOPCOBBMC-UHFFFAOYSA-N
XLogP0.51
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
CID 106968829
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964337
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106964385
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969194
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 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide (CID 106971425) is 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide is CNC(=O)CCNc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide?
The InChIKey is LMUOBGOPCOBBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-11(2,3)14-7-9-15-16-10(18-9)13-6-5-8(17)12-4/h14H,5-7H2,1-4H3,(H,12,17)(H,13,16).
What are the key properties of 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide?
3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 106971425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).