N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide

C23H28N4O2 — CID 56583040

IUPACN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCN(C)C(C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c1-6-27(5)19(16-10-8-7-9-11-16)21(28)24-18-14-12-17(13-15-18)20-25-22(29-26-20)23(2,3)4/h7-15,19H,6H2,1-5H3,(H,24,28)
InChIKeyFJJXQAWQWNWDIO-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.67
Rot. Bonds6

About N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide

N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide (PubChem CID 56583040) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
PubChem CID56583040
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCN(C)C(C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c1-6-27(5)19(16-10-8-7-9-11-16)21(28)24-18-14-12-17(13-15-18)20-25-22(29-26-20)23(2,3)4/h7-15,19H,6H2,1-5H3,(H,24,28)
InChIKeyFJJXQAWQWNWDIO-UHFFFAOYSA-N
XLogP4.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25219299
tert-butyl N-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]anilino]ethyl]carbamate
CID 153313572
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
(2S)-2-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 119314171
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71936259
2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 122120252
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71883583
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8767309
(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
CID 95297420
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The IUPAC name of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide (CID 56583040) is N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide is CCN(C)C(C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The InChIKey is FJJXQAWQWNWDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-6-27(5)19(16-10-8-7-9-11-16)21(28)24-18-14-12-17(13-15-18)20-25-22(29-26-20)23(2,3)4/h7-15,19H,6H2,1-5H3,(H,24,28).
What are the key properties of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide has a molecular weight of 392.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide is sourced from PubChem (CID 56583040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).