(2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide

C12H22N4O2 — CID 91839400

IUPAC(2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide
SMILESCCc1nc(CCNC(=O)[C@@H](N)C(C)(C)C)no1
InChIInChI=1S/C12H22N4O2/c1-5-9-15-8(16-18-9)6-7-14-11(17)10(13)12(2,3)4/h10H,5-7,13H2,1-4H3,(H,14,17)/t10-/m1/s1
InChIKeyCJEVPZJMAPPAJQ-SNVBAGLBSA-N
MW254.33 g/mol
LogP0.66
Rot. Bonds5

About (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 91839400) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID91839400
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide
SMILESCCc1nc(CCNC(=O)[C@@H](N)C(C)(C)C)no1
InChIInChI=1S/C12H22N4O2/c1-5-9-15-8(16-18-9)6-7-14-11(17)10(13)12(2,3)4/h10H,5-7,13H2,1-4H3,(H,14,17)/t10-/m1/s1
InChIKeyCJEVPZJMAPPAJQ-SNVBAGLBSA-N
XLogP0.66
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide (CID 91839400) is (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide is CCc1nc(CCNC(=O)[C@@H](N)C(C)(C)C)no1.
What is the InChIKey of (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is CJEVPZJMAPPAJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-9-15-8(16-18-9)6-7-14-11(17)10(13)12(2,3)4/h10H,5-7,13H2,1-4H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 254.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 91839400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).