2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H23N3O3 — CID 47016419

IUPAC2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCOc1ccc(C(C)NC(C)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H23N3O3/c1-5-22-15-8-6-14(7-9-15)12(3)18-13(4)17(21)19-16-10-11(2)23-20-16/h6-10,12-13,18H,5H2,1-4H3,(H,19,20,21)
InChIKeyXVORWAXCJWZPKL-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.06
Rot. Bonds7

About 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 47016419) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID47016419
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCOc1ccc(C(C)NC(C)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H23N3O3/c1-5-22-15-8-6-14(7-9-15)12(3)18-13(4)17(21)19-16-10-11(2)23-20-16/h6-10,12-13,18H,5H2,1-4H3,(H,19,20,21)
InChIKeyXVORWAXCJWZPKL-UHFFFAOYSA-N
XLogP3.06
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18097207
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propoxyphenoxy)propanamide
CID 18097177
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CID 30489995
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CID 30489992
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
CID 112507061
(2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8996075
(2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8996072
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27323769
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 47016419) is 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCOc1ccc(C(C)NC(C)C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is XVORWAXCJWZPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-22-15-8-6-14(7-9-15)12(3)18-13(4)17(21)19-16-10-11(2)23-20-16/h6-10,12-13,18H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 47016419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).