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

C17H24N4O3 — CID 119817224

IUPAC(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccccc1-c1noc(C(C)NC(=O)[C@@H](N)C(C)(C)C)n1
InChIInChI=1S/C17H24N4O3/c1-10(19-15(22)13(18)17(2,3)4)16-20-14(21-24-16)11-8-6-7-9-12(11)23-5/h6-10,13H,18H2,1-5H3,(H,19,22)/t10?,13-/m1/s1
InChIKeyJJZVUTOTOBKFFQ-JLOHTSLTSA-N
MW332.40 g/mol
LogP2.30
Rot. Bonds5

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

(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 119817224) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID119817224
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccccc1-c1noc(C(C)NC(=O)[C@@H](N)C(C)(C)C)n1
InChIInChI=1S/C17H24N4O3/c1-10(19-15(22)13(18)17(2,3)4)16-20-14(21-24-16)11-8-6-7-9-12(11)23-5/h6-10,13H,18H2,1-5H3,(H,19,22)/t10?,13-/m1/s1
InChIKeyJJZVUTOTOBKFFQ-JLOHTSLTSA-N
XLogP2.30
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide (CID 119817224) is (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide is COc1ccccc1-c1noc(C(C)NC(=O)[C@@H](N)C(C)(C)C)n1.
What is the InChIKey of (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is JJZVUTOTOBKFFQ-JLOHTSLTSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-10(19-15(22)13(18)17(2,3)4)16-20-14(21-24-16)11-8-6-7-9-12(11)23-5/h6-10,13H,18H2,1-5H3,(H,19,22)/t10?,13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 332.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119817224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).