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

C10H18N4O2 — CID 66951981

IUPAC(2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
SMILESCc1nnc(CN[C@H](C(N)=O)C(C)(C)C)o1
InChIInChI=1S/C10H18N4O2/c1-6-13-14-7(16-6)5-12-8(9(11)15)10(2,3)4/h8,12H,5H2,1-4H3,(H2,11,15)/t8-/m1/s1
InChIKeyOIKAMJXNYOOZGT-MRVPVSSYSA-N
MW226.28 g/mol
LogP0.37
Rot. Bonds4

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

(2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide (PubChem CID 66951981) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
PubChem CID66951981
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
SMILESCc1nnc(CN[C@H](C(N)=O)C(C)(C)C)o1
InChIInChI=1S/C10H18N4O2/c1-6-13-14-7(16-6)5-12-8(9(11)15)10(2,3)4/h8,12H,5H2,1-4H3,(H2,11,15)/t8-/m1/s1
InChIKeyOIKAMJXNYOOZGT-MRVPVSSYSA-N
XLogP0.37
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide?
The IUPAC name of (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide (CID 66951981) is (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide.
What is the SMILES notation for (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide?
The canonical SMILES for (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide is Cc1nnc(CN[C@H](C(N)=O)C(C)(C)C)o1.
What is the InChIKey of (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide?
The InChIKey is OIKAMJXNYOOZGT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6-13-14-7(16-6)5-12-8(9(11)15)10(2,3)4/h8,12H,5H2,1-4H3,(H2,11,15)/t8-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide?
(2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide has a molecular weight of 226.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide is sourced from PubChem (CID 66951981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).