methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate

C14H20N2O5 — CID 30373144

IUPACmethyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)COc2cc(C)on2)CCCCC1
InChIInChI=1S/C14H20N2O5/c1-10-8-12(16-21-10)20-9-11(17)15-14(13(18)19-2)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyUOJHAGJVCRMHFV-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.35
Rot. Bonds5

About methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate

methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 30373144) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate
PubChem CID30373144
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namemethyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)COc2cc(C)on2)CCCCC1
InChIInChI=1S/C14H20N2O5/c1-10-8-12(16-21-10)20-9-11(17)15-14(13(18)19-2)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyUOJHAGJVCRMHFV-UHFFFAOYSA-N
XLogP1.35
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate (CID 30373144) is methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)COc2cc(C)on2)CCCCC1.
What is the InChIKey of methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is UOJHAGJVCRMHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10-8-12(16-21-10)20-9-11(17)15-14(13(18)19-2)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 30373144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).