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

C14H18BrNO — CID 15512390

IUPAC2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
InChIInChI=1S/C14H18BrNO/c1-13(2)9-17-12(16-13)14(3,4)10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChIKeyGEFJHFNKORGOKH-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.93
Rot. Bonds2

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

2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 15512390) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID15512390
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1
InChIInChI=1S/C14H18BrNO/c1-13(2)9-17-12(16-13)14(3,4)10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChIKeyGEFJHFNKORGOKH-UHFFFAOYSA-N
XLogP3.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 15512390) is 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(C(C)(C)c2ccc(Br)cc2)=N1.
What is the InChIKey of 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GEFJHFNKORGOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-13(2)9-17-12(16-13)14(3,4)10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3.
What are the key properties of 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 296.21 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 15512390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).