(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide

C9H16N4O2 — CID 97226714

IUPAC(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide
SMILESCC[C@](C)(NCc1noc(C)n1)C(N)=O
InChIInChI=1S/C9H16N4O2/c1-4-9(3,8(10)14)11-5-7-12-6(2)15-13-7/h11H,4-5H2,1-3H3,(H2,10,14)/t9-/m0/s1
InChIKeyRBVNCKKEFFFKJF-VIFPVBQESA-N
MW212.25 g/mol
LogP0.12
Rot. Bonds5

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

(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide (PubChem CID 97226714) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide
PubChem CID97226714
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide
SMILESCC[C@](C)(NCc1noc(C)n1)C(N)=O
InChIInChI=1S/C9H16N4O2/c1-4-9(3,8(10)14)11-5-7-12-6(2)15-13-7/h11H,4-5H2,1-3H3,(H2,10,14)/t9-/m0/s1
InChIKeyRBVNCKKEFFFKJF-VIFPVBQESA-N
XLogP0.12
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide?
The IUPAC name of (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide (CID 97226714) is (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide.
What is the SMILES notation for (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide?
The canonical SMILES for (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide is CC[C@](C)(NCc1noc(C)n1)C(N)=O.
What is the InChIKey of (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide?
The InChIKey is RBVNCKKEFFFKJF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-9(3,8(10)14)11-5-7-12-6(2)15-13-7/h11H,4-5H2,1-3H3,(H2,10,14)/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide?
(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide has a molecular weight of 212.25 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide is sourced from PubChem (CID 97226714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).