(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide

C17H23N3O3 — CID 95154294

IUPAC(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H23N3O3/c1-6-22-11(2)15(21)18-13-9-7-12(8-10-13)14-19-16(23-20-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,21)/t11-/m0/s1
InChIKeyVBQHHLCEFZREIN-NSHDSACASA-N
MW317.39 g/mol
LogP3.40
Rot. Bonds5

About (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide

(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide (PubChem CID 95154294) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide
PubChem CID95154294
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H23N3O3/c1-6-22-11(2)15(21)18-13-9-7-12(8-10-13)14-19-16(23-20-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,21)/t11-/m0/s1
InChIKeyVBQHHLCEFZREIN-NSHDSACASA-N
XLogP3.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56583040
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
(2S)-2-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 119314171
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25219299
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71936259
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71883583
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39867025
4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 138667689
methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
CID 57202777

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide?
The IUPAC name of (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide (CID 95154294) is (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide is CCO[C@@H](C)C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1.
What is the InChIKey of (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide?
The InChIKey is VBQHHLCEFZREIN-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N3O3/c1-6-22-11(2)15(21)18-13-9-7-12(8-10-13)14-19-16(23-20-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide?
(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide has a molecular weight of 317.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide is sourced from PubChem (CID 95154294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).