5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole

C14H23NO2 — CID 146551597

IUPAC5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole
SMILESCCC1CCOCCC(c2cc(C)no2)C1C
InChIInChI=1S/C14H23NO2/c1-4-12-5-7-16-8-6-13(11(12)3)14-9-10(2)15-17-14/h9,11-13H,4-8H2,1-3H3
InChIKeyPWMJFYCJBWVLQG-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.54
Rot. Bonds2

About 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole

5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole (PubChem CID 146551597) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole
PubChem CID146551597
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole
SMILESCCC1CCOCCC(c2cc(C)no2)C1C
InChIInChI=1S/C14H23NO2/c1-4-12-5-7-16-8-6-13(11(12)3)14-9-10(2)15-17-14/h9,11-13H,4-8H2,1-3H3
InChIKeyPWMJFYCJBWVLQG-UHFFFAOYSA-N
XLogP3.54
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole (CID 146551597) is 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole is CCC1CCOCCC(c2cc(C)no2)C1C.
What is the InChIKey of 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole?
The InChIKey is PWMJFYCJBWVLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12-5-7-16-8-6-13(11(12)3)14-9-10(2)15-17-14/h9,11-13H,4-8H2,1-3H3.
What are the key properties of 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole?
5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole has a molecular weight of 237.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 146551597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).