methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate

C12H16FNO3 — CID 58509491

IUPACmethyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2noc(C)c2F)CC1
InChIInChI=1S/C12H16FNO3/c1-7-10(13)11(14-17-7)8-3-5-9(6-4-8)12(15)16-2/h8-9H,3-6H2,1-2H3
InChIKeyWDEHLOACZVECPP-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.57
Rot. Bonds2

About methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate

methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate (PubChem CID 58509491) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate
PubChem CID58509491
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namemethyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2noc(C)c2F)CC1
InChIInChI=1S/C12H16FNO3/c1-7-10(13)11(14-17-7)8-3-5-9(6-4-8)12(15)16-2/h8-9H,3-6H2,1-2H3
InChIKeyWDEHLOACZVECPP-UHFFFAOYSA-N
XLogP2.57
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate (CID 58509491) is methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2noc(C)c2F)CC1.
What is the InChIKey of methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate?
The InChIKey is WDEHLOACZVECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-7-10(13)11(14-17-7)8-3-5-9(6-4-8)12(15)16-2/h8-9H,3-6H2,1-2H3.
What are the key properties of methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate?
methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate has a molecular weight of 241.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluoro-5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 58509491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).