[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate

C17H23N3O4 — CID 95347851

IUPAC[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
SMILESCOc1ccccc1NCC(=O)O[C@@H](C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H23N3O4/c1-11(15-19-16(20-24-15)17(2,3)4)23-14(21)10-18-12-8-6-7-9-13(12)22-5/h6-9,11,18H,10H2,1-5H3/t11-/m0/s1
InChIKeyIDPDLEAJRFBTBZ-NSHDSACASA-N
MW333.39 g/mol
LogP3.09
Rot. Bonds6

About [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate

[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate (PubChem CID 95347851) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate.

Molecular Properties

Compound Name[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
PubChem CID95347851
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
SMILESCOc1ccccc1NCC(=O)O[C@@H](C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H23N3O4/c1-11(15-19-16(20-24-15)17(2,3)4)23-14(21)10-18-12-8-6-7-9-13(12)22-5/h6-9,11,18H,10H2,1-5H3/t11-/m0/s1
InChIKeyIDPDLEAJRFBTBZ-NSHDSACASA-N
XLogP3.09
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate
CID 31437668
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
CID 55553227
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate
CID 55545119
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(trifluoromethyl)benzoate
CID 55544853
hydroxycarbamoyl 2-(2-methoxyanilino)acetate
CID 175061449
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55551879
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 51932454
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
CID 120505863
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 31531796

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate?
The IUPAC name of [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate (CID 95347851) is [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate.
What is the SMILES notation for [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate?
The canonical SMILES for [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate is COc1ccccc1NCC(=O)O[C@@H](C)c1nc(C(C)(C)C)no1.
What is the InChIKey of [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate?
The InChIKey is IDPDLEAJRFBTBZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11(15-19-16(20-24-15)17(2,3)4)23-14(21)10-18-12-8-6-7-9-13(12)22-5/h6-9,11,18H,10H2,1-5H3/t11-/m0/s1.
What are the key properties of [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate?
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate has a molecular weight of 333.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate is sourced from PubChem (CID 95347851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).