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

C9H17N5O2 — CID 106967454

IUPAC3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nnc(CCN)o1
InChIInChI=1S/C9H17N5O2/c1-11-7(15)4-6-14(2)9-13-12-8(16-9)3-5-10/h3-6,10H2,1-2H3,(H,11,15)
InChIKeyKDSOTSJAROPDCV-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.86
Rot. Bonds6

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

3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide (PubChem CID 106967454) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
PubChem CID106967454
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nnc(CCN)o1
InChIInChI=1S/C9H17N5O2/c1-11-7(15)4-6-14(2)9-13-12-8(16-9)3-5-10/h3-6,10H2,1-2H3,(H,11,15)
InChIKeyKDSOTSJAROPDCV-UHFFFAOYSA-N
XLogP-0.86
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 106967463
3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106959222
5-(2-aminoethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine
CID 106967806
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 172606786
3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970851
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106963020
N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56868229

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide (CID 106967454) is 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nnc(CCN)o1.
What is the InChIKey of 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The InChIKey is KDSOTSJAROPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-11-7(15)4-6-14(2)9-13-12-8(16-9)3-5-10/h3-6,10H2,1-2H3,(H,11,15).
What are the key properties of 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide has a molecular weight of 227.27 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106967454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).