3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide

C11H21N5O3 — CID 106280983

IUPAC3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
SMILESCOCCNCc1nnc(NCC(C)(C)C(N)=O)o1
InChIInChI=1S/C11H21N5O3/c1-11(2,9(12)17)7-14-10-16-15-8(19-10)6-13-4-5-18-3/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,16)
InChIKeyPPTGGBUSFPPZTH-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.27
Rot. Bonds9

About 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide

3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide (PubChem CID 106280983) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
PubChem CID106280983
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
SMILESCOCCNCc1nnc(NCC(C)(C)C(N)=O)o1
InChIInChI=1S/C11H21N5O3/c1-11(2,9(12)17)7-14-10-16-15-8(19-10)6-13-4-5-18-3/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,16)
InChIKeyPPTGGBUSFPPZTH-UHFFFAOYSA-N
XLogP-0.27
TPSA115.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 105923838
5-[(tert-butylamino)methyl]-N-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923840
N-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 105923844
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923846
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923850
N-[2-(2,2-difluoroethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 105923854
N-[2-(2,2-difluoroethoxy)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 105923856
5-[(2-methoxyethylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942432
5-[(2-methoxyethylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106296572
5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106296576
5-[(tert-butylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106960901
5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961579

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide (CID 106280983) is 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide is COCCNCc1nnc(NCC(C)(C)C(N)=O)o1.
What is the InChIKey of 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is PPTGGBUSFPPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-11(2,9(12)17)7-14-10-16-15-8(19-10)6-13-4-5-18-3/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,16).
What are the key properties of 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide?
3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 271.32 g/mol, XLogP of -0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).