methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate

C11H15NO3 — CID 154791565

IUPACmethyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(C2CCCCC2)on1
InChIInChI=1S/C11H15NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyZWFUVRZRUUOXEK-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.51
Rot. Bonds2

About methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate

methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate (PubChem CID 154791565) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
PubChem CID154791565
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(C2CCCCC2)on1
InChIInChI=1S/C11H15NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyZWFUVRZRUUOXEK-UHFFFAOYSA-N
XLogP2.51
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclohexyl-1,2-oxazol-3-yl)ethanone
CID 115094361
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
CID 154791593
methyl (E)-4-[(5-cyclobutyl-1,2-oxazole-3-carbonyl)amino]but-2-enoate
CID 154876855
methyl 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410330
(5-cyclopentyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728308
5-cyclopropyl-N-methylsulfonyl-1,2-oxazole-3-carboxamide
CID 154774184
3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 154245938
5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 113434991
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
9-azabicyclo[6.2.0]decan-9-yl-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 119042459

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate (CID 154791565) is methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate is COC(=O)c1cc(C2CCCCC2)on1.
What is the InChIKey of methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate?
The InChIKey is ZWFUVRZRUUOXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate?
methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).