N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide

C17H21N3O4 — CID 95354548

IUPACN-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
SMILESCCNC(=O)c1ccc(O[C@@H](CC)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O4/c1-4-14(17(22)19-15-10-11(3)24-20-15)23-13-8-6-12(7-9-13)16(21)18-5-2/h6-10,14H,4-5H2,1-3H3,(H,18,21)(H,19,20,22)/t14-/m0/s1
InChIKeyUEZMAJAXHIBOHK-AWEZNQCLSA-N
MW331.37 g/mol
LogP2.53
Rot. Bonds7

About N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide

N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide (PubChem CID 95354548) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
PubChem CID95354548
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
SMILESCCNC(=O)c1ccc(O[C@@H](CC)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O4/c1-4-14(17(22)19-15-10-11(3)24-20-15)23-13-8-6-12(7-9-13)16(21)18-5-2/h6-10,14H,4-5H2,1-3H3,(H,18,21)(H,19,20,22)/t14-/m0/s1
InChIKeyUEZMAJAXHIBOHK-AWEZNQCLSA-N
XLogP2.53
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40810164
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide
CID 46650326
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-hydroxybenzoate
CID 41037165
2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 17430036
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55561853
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18097207
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236
4-methoxy-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 18103303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide?
The IUPAC name of N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide (CID 95354548) is N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide.
What is the SMILES notation for N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide?
The canonical SMILES for N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide is CCNC(=O)c1ccc(O[C@@H](CC)C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide?
The InChIKey is UEZMAJAXHIBOHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-14(17(22)19-15-10-11(3)24-20-15)23-13-8-6-12(7-9-13)16(21)18-5-2/h6-10,14H,4-5H2,1-3H3,(H,18,21)(H,19,20,22)/t14-/m0/s1.
What are the key properties of N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide?
N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide is sourced from PubChem (CID 95354548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).