3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole

C14H20N2O2 — CID 134240479

IUPAC3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole
SMILESCC(C)(CCC(C)(C)c1ccno1)c1ccon1
InChIInChI=1S/C14H20N2O2/c1-13(2,11-6-10-17-16-11)7-8-14(3,4)12-5-9-15-18-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyVPDLNJJFMZAMBY-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.70
Rot. Bonds5

About 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole

3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole (PubChem CID 134240479) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole
PubChem CID134240479
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole
SMILESCC(C)(CCC(C)(C)c1ccno1)c1ccon1
InChIInChI=1S/C14H20N2O2/c1-13(2,11-6-10-17-16-11)7-8-14(3,4)12-5-9-15-18-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyVPDLNJJFMZAMBY-UHFFFAOYSA-N
XLogP3.70
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole?
The IUPAC name of 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole (CID 134240479) is 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole is CC(C)(CCC(C)(C)c1ccno1)c1ccon1.
What is the InChIKey of 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole?
The InChIKey is VPDLNJJFMZAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-13(2,11-6-10-17-16-11)7-8-14(3,4)12-5-9-15-18-12/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole?
3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole has a molecular weight of 248.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dimethyl-5-(1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole is sourced from PubChem (CID 134240479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).