2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C16H23NO — CID 14197394

IUPAC2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCCCc1c(C)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C16H23NO/c1-5-6-9-13-12(2)8-7-10-14(13)15-17-16(3,4)11-18-15/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyCFVZDKHEGHQFEM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14197394) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14197394
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCCCc1c(C)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C16H23NO/c1-5-6-9-13-12(2)8-7-10-14(13)15-17-16(3,4)11-18-15/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyCFVZDKHEGHQFEM-UHFFFAOYSA-N
XLogP3.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 14197394) is 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole is CCCCc1c(C)cccc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is CFVZDKHEGHQFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-6-9-13-12(2)8-7-10-14(13)15-17-16(3,4)11-18-15/h7-8,10H,5-6,9,11H2,1-4H3.
What are the key properties of 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 245.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14197394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).