4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C17H22N4O4 — CID 119138870

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OCC(N)=O)cc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H22N4O4/c1-10(15-20-16(21-25-15)17(2,3)4)19-14(23)11-5-7-12(8-6-11)24-9-13(18)22/h5-8,10H,9H2,1-4H3,(H2,18,22)(H,19,23)
InChIKeyHXGYOKRSCWBQCE-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.72
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 119138870) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID119138870
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OCC(N)=O)cc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H22N4O4/c1-10(15-20-16(21-25-15)17(2,3)4)19-14(23)11-5-7-12(8-6-11)24-9-13(18)22/h5-8,10H,9H2,1-4H3,(H2,18,22)(H,19,23)
InChIKeyHXGYOKRSCWBQCE-UHFFFAOYSA-N
XLogP1.72
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110988
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate
CID 55545119
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-cyclobutyloxypyridine-4-carboxamide
CID 126768794
5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120638330
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-prop-2-enoxybenzoate
CID 55569608
4-(2-amino-2-oxoethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750889
2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817329
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119586018
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136715375

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 119138870) is 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is CC(NC(=O)c1ccc(OCC(N)=O)cc1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is HXGYOKRSCWBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10(15-20-16(21-25-15)17(2,3)4)19-14(23)11-5-7-12(8-6-11)24-9-13(18)22/h5-8,10H,9H2,1-4H3,(H2,18,22)(H,19,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 119138870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).