ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate

C15H21NO3 — CID 71120292

IUPACethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate
SMILESCCOC(=O)Cc1oc(C2CC=CCC2C)nc1C
InChIInChI=1S/C15H21NO3/c1-4-18-14(17)9-13-11(3)16-15(19-13)12-8-6-5-7-10(12)2/h5-6,10,12H,4,7-9H2,1-3H3
InChIKeyHOMZKXHQMIOIFP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.16
Rot. Bonds4

About ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate

ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate (PubChem CID 71120292) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate
PubChem CID71120292
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate
SMILESCCOC(=O)Cc1oc(C2CC=CCC2C)nc1C
InChIInChI=1S/C15H21NO3/c1-4-18-14(17)9-13-11(3)16-15(19-13)12-8-6-5-7-10(12)2/h5-6,10,12H,4,7-9H2,1-3H3
InChIKeyHOMZKXHQMIOIFP-UHFFFAOYSA-N
XLogP3.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate?
The IUPAC name of ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate (CID 71120292) is ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate is CCOC(=O)Cc1oc(C2CC=CCC2C)nc1C.
What is the InChIKey of ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate?
The InChIKey is HOMZKXHQMIOIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-18-14(17)9-13-11(3)16-15(19-13)12-8-6-5-7-10(12)2/h5-6,10,12H,4,7-9H2,1-3H3.
What are the key properties of ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate?
ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate has a molecular weight of 263.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-oxazol-5-yl]acetate is sourced from PubChem (CID 71120292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).