[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

C23H24N2O4 — CID 9126519

IUPAC[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESCC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H24N2O4/c1-15(2)16(3)25-21(26)14-28-23(27)19-12-8-7-11-18(19)22-24-13-20(29-22)17-9-5-4-6-10-17/h4-13,15-16H,14H2,1-3H3,(H,25,26)/t16-/m0/s1
InChIKeyBHHZWAJUKMFAPI-INIZCTEOSA-N
MW392.46 g/mol
LogP4.33
Rot. Bonds7

About [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (PubChem CID 9126519) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
PubChem CID9126519
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESCC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H24N2O4/c1-15(2)16(3)25-21(26)14-28-23(27)19-12-8-7-11-18(19)22-24-13-20(29-22)17-9-5-4-6-10-17/h4-13,15-16H,14H2,1-3H3,(H,25,26)/t16-/m0/s1
InChIKeyBHHZWAJUKMFAPI-INIZCTEOSA-N
XLogP4.33
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate with MolForge

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126631
[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510395
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393
2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 60616964
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 27998707
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510430
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2652492
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8702055
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The IUPAC name of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (CID 9126519) is [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.
What is the SMILES notation for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The canonical SMILES for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is CC(C)[C@H](C)NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The InChIKey is BHHZWAJUKMFAPI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15(2)16(3)25-21(26)14-28-23(27)19-12-8-7-11-18(19)22-24-13-20(29-22)17-9-5-4-6-10-17/h4-13,15-16H,14H2,1-3H3,(H,25,26)/t16-/m0/s1.
What are the key properties of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate has a molecular weight of 392.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 9126519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).