methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

C15H23NO4 — CID 107185683

IUPACmethyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(C2CCCCC2(C)C)oc1C(=O)OC
InChIInChI=1S/C15H23NO4/c1-15(2)8-6-5-7-10(15)13-16-11(9-18-3)12(20-13)14(17)19-4/h10H,5-9H2,1-4H3
InChIKeyYLPBVQOZYWUUAI-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.29
Rot. Bonds4

About methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate

methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (PubChem CID 107185683) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
PubChem CID107185683
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(C2CCCCC2(C)C)oc1C(=O)OC
InChIInChI=1S/C15H23NO4/c1-15(2)8-6-5-7-10(15)13-16-11(9-18-3)12(20-13)14(17)19-4/h10H,5-9H2,1-4H3
InChIKeyYLPBVQOZYWUUAI-UHFFFAOYSA-N
XLogP3.29
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate (CID 107185683) is methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is COCc1nc(C2CCCCC2(C)C)oc1C(=O)OC.
What is the InChIKey of methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is YLPBVQOZYWUUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2)8-6-5-7-10(15)13-16-11(9-18-3)12(20-13)14(17)19-4/h10H,5-9H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate?
methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 107185683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).