1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate

C13H20N2O3 — CID 12920332

IUPAC1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate
SMILESCc1cc(C(C)OC(=O)NC2CCCCC2)on1
InChIInChI=1S/C13H20N2O3/c1-9-8-12(18-15-9)10(2)17-13(16)14-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,14,16)
InChIKeyONJNIVOFGJDWDG-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate

1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate (PubChem CID 12920332) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate
PubChem CID12920332
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate
SMILESCc1cc(C(C)OC(=O)NC2CCCCC2)on1
InChIInChI=1S/C13H20N2O3/c1-9-8-12(18-15-9)10(2)17-13(16)14-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,14,16)
InChIKeyONJNIVOFGJDWDG-UHFFFAOYSA-N
XLogP3.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate (CID 12920332) is 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate is Cc1cc(C(C)OC(=O)NC2CCCCC2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate?
The InChIKey is ONJNIVOFGJDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-8-12(18-15-9)10(2)17-13(16)14-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate?
1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate has a molecular weight of 252.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate is sourced from PubChem (CID 12920332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).