[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C14H20N2O4 — CID 7737674

IUPAC[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)on1
InChIInChI=1S/C14H20N2O4/c1-9-5-3-4-6-11(9)15-13(17)8-19-14(18)12-7-10(2)16-20-12/h7,9,11H,3-6,8H2,1-2H3,(H,15,17)/t9-,11-/m1/s1
InChIKeyIHKGZJGXKFJSIZ-MWLCHTKSSA-N
MW280.32 g/mol
LogP1.83
Rot. Bonds4

About [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 7737674) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID7737674
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)on1
InChIInChI=1S/C14H20N2O4/c1-9-5-3-4-6-11(9)15-13(17)8-19-14(18)12-7-10(2)16-20-12/h7,9,11H,3-6,8H2,1-2H3,(H,15,17)/t9-,11-/m1/s1
InChIKeyIHKGZJGXKFJSIZ-MWLCHTKSSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 7737674) is [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)on1.
What is the InChIKey of [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is IHKGZJGXKFJSIZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-5-3-4-6-11(9)15-13(17)8-19-14(18)12-7-10(2)16-20-12/h7,9,11H,3-6,8H2,1-2H3,(H,15,17)/t9-,11-/m1/s1.
What are the key properties of [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7737674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).