3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole

C15H22N2O2 — CID 154991919

IUPAC3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C(C)(C)CCC(C)(C)c2cnoc2)no1
InChIInChI=1S/C15H22N2O2/c1-11-8-13(17-19-11)15(4,5)7-6-14(2,3)12-9-16-18-10-12/h8-10H,6-7H2,1-5H3
InChIKeySPXSKYSKIFFWMU-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.01
Rot. Bonds5

About 3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole

3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole (PubChem CID 154991919) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole
PubChem CID154991919
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C(C)(C)CCC(C)(C)c2cnoc2)no1
InChIInChI=1S/C15H22N2O2/c1-11-8-13(17-19-11)15(4,5)7-6-14(2,3)12-9-16-18-10-12/h8-10H,6-7H2,1-5H3
InChIKeySPXSKYSKIFFWMU-UHFFFAOYSA-N
XLogP4.01
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.01
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-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole (CID 154991919) is 3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole is Cc1cc(C(C)(C)CCC(C)(C)c2cnoc2)no1.
What is the InChIKey of 3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is SPXSKYSKIFFWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-13(17-19-11)15(4,5)7-6-14(2,3)12-9-16-18-10-12/h8-10H,6-7H2,1-5H3.
What are the key properties of 3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole?
3-[2,5-dimethyl-5-(1,2-oxazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 262.35 g/mol, XLogP of 4.01, 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-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 154991919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).