3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide

C10H19N5O2 — CID 106967463

IUPAC3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
SMILESCCNCc1nnc(N(C)CCC(=O)NC)o1
InChIInChI=1S/C10H19N5O2/c1-4-12-7-9-13-14-10(17-9)15(3)6-5-8(16)11-2/h12H,4-7H2,1-3H3,(H,11,16)
InChIKeyMTUKNTIUHUSVDH-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.25
Rot. Bonds7

About 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide

3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide (PubChem CID 106967463) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
PubChem CID106967463
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
SMILESCCNCc1nnc(N(C)CCC(=O)NC)o1
InChIInChI=1S/C10H19N5O2/c1-4-12-7-9-13-14-10(17-9)15(3)6-5-8(16)11-2/h12H,4-7H2,1-3H3,(H,11,16)
InChIKeyMTUKNTIUHUSVDH-UHFFFAOYSA-N
XLogP-0.25
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 106967454
N-butyl-5-(ethylaminomethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106966149
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106959438
N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106971369
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106969906
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 106970217
5-[(cyclopropylamino)methyl]-N-methyl-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968742
2-[butyl-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970325
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
CID 106959307
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide (CID 106967463) is 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide is CCNCc1nnc(N(C)CCC(=O)NC)o1.
What is the InChIKey of 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The InChIKey is MTUKNTIUHUSVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-4-12-7-9-13-14-10(17-9)15(3)6-5-8(16)11-2/h12H,4-7H2,1-3H3,(H,11,16).
What are the key properties of 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide has a molecular weight of 241.29 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106967463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).