3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

C9H16N4O2 — CID 106416348

IUPAC3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1nc(C)no1
InChIInChI=1S/C9H16N4O2/c1-7-12-9(15-13-7)4-6-11-8(14)3-5-10-2/h10H,3-6H2,1-2H3,(H,11,14)
InChIKeyHHYGWNIASICKDZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.35
Rot. Bonds6

About 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 106416348) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID106416348
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1nc(C)no1
InChIInChI=1S/C9H16N4O2/c1-7-12-9(15-13-7)4-6-11-8(14)3-5-10-2/h10H,3-6H2,1-2H3,(H,11,14)
InChIKeyHHYGWNIASICKDZ-UHFFFAOYSA-N
XLogP-0.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
3-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]propanamide
CID 106421413
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 107329579
2,2-dimethyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106419385
2-(4-aminophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413302
3-(ethylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106416378
4-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]benzoic acid
CID 119168608
3-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106416458
N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
CID 106417469

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 106416348) is 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is CNCCC(=O)NCCc1nc(C)no1.
What is the InChIKey of 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is HHYGWNIASICKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7-12-9(15-13-7)4-6-11-8(14)3-5-10-2/h10H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106416348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).