3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide

C11H21N5O2 — CID 106098974

IUPAC3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide
SMILESCCCNCc1nnc(NC(C)(C)CC(N)=O)o1
InChIInChI=1S/C11H21N5O2/c1-4-5-13-7-9-15-16-10(18-9)14-11(2,3)6-8(12)17/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,16)
InChIKeyRBEXLJOUUGUZBX-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.64
Rot. Bonds8

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

3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide (PubChem CID 106098974) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide
PubChem CID106098974
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide
SMILESCCCNCc1nnc(NC(C)(C)CC(N)=O)o1
InChIInChI=1S/C11H21N5O2/c1-4-5-13-7-9-15-16-10(18-9)14-11(2,3)6-8(12)17/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,16)
InChIKeyRBEXLJOUUGUZBX-UHFFFAOYSA-N
XLogP0.64
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106098977
N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964337
2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106969077
4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966692
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
N-(2-methoxyethyl)-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964540
3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167814
N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964253
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide?
The IUPAC name of 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide (CID 106098974) is 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide.
What is the SMILES notation for 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide?
The canonical SMILES for 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide is CCCNCc1nnc(NC(C)(C)CC(N)=O)o1.
What is the InChIKey of 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide?
The InChIKey is RBEXLJOUUGUZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-5-13-7-9-15-16-10(18-9)14-11(2,3)6-8(12)17/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,16).
What are the key properties of 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide?
3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide has a molecular weight of 255.32 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide is sourced from PubChem (CID 106098974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).