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

C17H20N2O4 — CID 7737801

IUPAC[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCCC[C@@H](NC(=O)COC(=O)c1cc(C)no1)c1ccccc1
InChIInChI=1S/C17H20N2O4/c1-3-7-14(13-8-5-4-6-9-13)18-16(20)11-22-17(21)15-10-12(2)19-23-15/h4-6,8-10,14H,3,7,11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyHRSBVPAQGXBQSX-CQSZACIVSA-N
MW316.36 g/mol
LogP2.80
Rot. Bonds7

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

[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 7737801) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID7737801
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCCC[C@@H](NC(=O)COC(=O)c1cc(C)no1)c1ccccc1
InChIInChI=1S/C17H20N2O4/c1-3-7-14(13-8-5-4-6-9-13)18-16(20)11-22-17(21)15-10-12(2)19-23-15/h4-6,8-10,14H,3,7,11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyHRSBVPAQGXBQSX-CQSZACIVSA-N
XLogP2.80
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methylbenzoate
CID 7594600
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 7519067
1-O-methyl 4-O-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7521657
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-methylfuran-3-carboxylate
CID 7664469
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 7594722
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646332
[2-oxo-2-(1-phenylbutylamino)ethyl] 2,6-dimethoxybenzoate
CID 55365140
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 4-chlorobenzoate
CID 7594546
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721356
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7519038
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985731
[2-oxo-2-(1-phenylbutylamino)ethyl] 1H-indazole-6-carboxylate
CID 55528564

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 7737801) is [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate is CCC[C@@H](NC(=O)COC(=O)c1cc(C)no1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is HRSBVPAQGXBQSX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-7-14(13-8-5-4-6-9-13)18-16(20)11-22-17(21)15-10-12(2)19-23-15/h4-6,8-10,14H,3,7,11H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7737801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).