4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole

C17H25NO — CID 58105355

IUPAC4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole
SMILESCCCc1ccc(C(C)(C)C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C17H25NO/c1-6-7-13-8-10-14(11-9-13)17(4,5)15-18-16(2,3)12-19-15/h8-11H,6-7,12H2,1-5H3
InChIKeySCOGMSRYWYEKAY-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.12
Rot. Bonds4

About 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole

4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole (PubChem CID 58105355) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole
PubChem CID58105355
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole
SMILESCCCc1ccc(C(C)(C)C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C17H25NO/c1-6-7-13-8-10-14(11-9-13)17(4,5)15-18-16(2,3)12-19-15/h8-11H,6-7,12H2,1-5H3
InChIKeySCOGMSRYWYEKAY-UHFFFAOYSA-N
XLogP4.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole (CID 58105355) is 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole is CCCc1ccc(C(C)(C)C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole?
The InChIKey is SCOGMSRYWYEKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-7-13-8-10-14(11-9-13)17(4,5)15-18-16(2,3)12-19-15/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole?
4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole has a molecular weight of 259.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[2-(4-propylphenyl)propan-2-yl]-5H-1,3-oxazole is sourced from PubChem (CID 58105355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).