[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

C14H20N2O4 — CID 7737713

IUPAC[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)on1
InChIInChI=1S/C14H20N2O4/c1-9-8-12(20-16-9)14(18)19-10(2)13(17)15-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyYYIMREBDTKPQBA-JTQLQIEISA-N
MW280.32 g/mol
LogP1.98
Rot. Bonds4

About [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 7737713) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID7737713
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)on1
InChIInChI=1S/C14H20N2O4/c1-9-8-12(20-16-9)14(18)19-10(2)13(17)15-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyYYIMREBDTKPQBA-JTQLQIEISA-N
XLogP1.98
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (CID 7737713) is [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)on1.
What is the InChIKey of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is YYIMREBDTKPQBA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-8-12(20-16-9)14(18)19-10(2)13(17)15-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7737713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).