[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C17H21N3O4 — CID 16570742

IUPAC[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCC(CNC(=O)COC(=O)c1c(C)noc1N)c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-3-12(13-7-5-4-6-8-13)9-19-14(21)10-23-17(22)15-11(2)20-24-16(15)18/h4-8,12H,3,9-10,18H2,1-2H3,(H,19,21)
InChIKeyJJCNSPLYMPDHLW-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.03
Rot. Bonds7

About [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 16570742) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID16570742
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCC(CNC(=O)COC(=O)c1c(C)noc1N)c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-3-12(13-7-5-4-6-8-13)9-19-14(21)10-23-17(22)15-11(2)20-24-16(15)18/h4-8,12H,3,9-10,18H2,1-2H3,(H,19,21)
InChIKeyJJCNSPLYMPDHLW-UHFFFAOYSA-N
XLogP2.03
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549232
[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16617601
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639171
[2-(2-iodoanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639271
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 30824186
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 40953167
[2-oxo-2-(2-phenylpropylamino)ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505272
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570747
[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 9452044
[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 71888017
[2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26010728
2-phenylbutylurea
CID 137320233

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 16570742) is [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is CCC(CNC(=O)COC(=O)c1c(C)noc1N)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is JJCNSPLYMPDHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-12(13-7-5-4-6-8-13)9-19-14(21)10-23-17(22)15-11(2)20-24-16(15)18/h4-8,12H,3,9-10,18H2,1-2H3,(H,19,21).
What are the key properties of [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylbutylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 16570742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).