[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate

C17H20N2O5 — CID 118265067

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCCC(OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H20N2O5/c1-4-14(17(21)18-15-9-11(2)24-19-15)23-16(20)10-12-5-7-13(22-3)8-6-12/h5-9,14H,4,10H2,1-3H3,(H,18,19,21)
InChIKeyJQVUYLMZYYZLBR-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.49
Rot. Bonds7

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate (PubChem CID 118265067) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate
PubChem CID118265067
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCCC(OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H20N2O5/c1-4-14(17(21)18-15-9-11(2)24-19-15)23-16(20)10-12-5-7-13(22-3)8-6-12/h5-9,14H,4,10H2,1-3H3,(H,18,19,21)
InChIKeyJQVUYLMZYYZLBR-UHFFFAOYSA-N
XLogP2.49
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate with MolForge

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Related Compounds

4-methoxy-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 18103303
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-thiophen-3-ylpropanoate
CID 46645264
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 27352608
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 55449941
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-hydroxybenzoate
CID 41037165
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-bromophenyl)sulfanylacetate
CID 55445645
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(phenoxymethyl)benzoate
CID 24527017
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 26009404
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063523
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethylbenzoate
CID 41037166

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate (CID 118265067) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate is CCC(OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate?
The InChIKey is JQVUYLMZYYZLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-4-14(17(21)18-15-9-11(2)24-19-15)23-16(20)10-12-5-7-13(22-3)8-6-12/h5-9,14H,4,10H2,1-3H3,(H,18,19,21).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate has a molecular weight of 332.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 118265067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).