2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride

C15H21ClNO- — CID 45108880

IUPAC2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride
SMILESCC1(C)COC(c2ccc(C(C)(C)C)cc2)=N1.[Cl-]
InChIInChI=1S/C15H21NO.ClH/c1-14(2,3)12-8-6-11(7-9-12)13-16-15(4,5)10-17-13;/h6-9H,10H2,1-5H3;1H/p-1
InChIKeyXIEVXBNEFCTZKW-UHFFFAOYSA-M
MW266.79 g/mol
LogP0.54
Rot. Bonds1

About 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride

2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride (PubChem CID 45108880) has the molecular formula C15H21ClNO- and a molecular weight of 266.79 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride
PubChem CID45108880
Molecular FormulaC15H21ClNO-
Molecular Weight266.79 g/mol
Exact Mass266.13
IUPAC Name2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride
SMILESCC1(C)COC(c2ccc(C(C)(C)C)cc2)=N1.[Cl-]
InChIInChI=1S/C15H21NO.ClH/c1-14(2,3)12-8-6-11(7-9-12)13-16-15(4,5)10-17-13;/h6-9H,10H2,1-5H3;1H/p-1
InChIKeyXIEVXBNEFCTZKW-UHFFFAOYSA-M
XLogP0.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride?
The IUPAC name of 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride (CID 45108880) is 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride?
The canonical SMILES for 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride is CC1(C)COC(c2ccc(C(C)(C)C)cc2)=N1.[Cl-].
What is the InChIKey of 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride?
The InChIKey is XIEVXBNEFCTZKW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO.ClH/c1-14(2,3)12-8-6-11(7-9-12)13-16-15(4,5)10-17-13;/h6-9H,10H2,1-5H3;1H/p-1.
What are the key properties of 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride?
2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride has a molecular weight of 266.79 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole chloride is sourced from PubChem (CID 45108880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).