[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C14H20N2O4 — CID 7737605

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CCCCCC2)on1
InChIInChI=1S/C14H20N2O4/c1-10-8-12(20-16-10)14(18)19-9-13(17)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,17)
InChIKeyCHDWEBKIIOWRSR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.98
Rot. Bonds4

About [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 7737605) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID7737605
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CCCCCC2)on1
InChIInChI=1S/C14H20N2O4/c1-10-8-12(20-16-10)14(18)19-9-13(17)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,17)
InChIKeyCHDWEBKIIOWRSR-UHFFFAOYSA-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 [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 7737605) is [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)NC2CCCCCC2)on1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is CHDWEBKIIOWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-8-12(20-16-10)14(18)19-9-13(17)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,17).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-(cycloheptylamino)-2-oxoethyl] 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 [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7737605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).