4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole

C14H19NO — CID 86092669

IUPAC4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(C(C)(C)c2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-13(2)10-16-12(15-13)14(3,4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyNEJAUBJWBBPNGB-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.17
Rot. Bonds2

About 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole

4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole (PubChem CID 86092669) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
PubChem CID86092669
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(C(C)(C)c2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-13(2)10-16-12(15-13)14(3,4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyNEJAUBJWBBPNGB-UHFFFAOYSA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.17
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-phenylpropan-2-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole (CID 86092669) is 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole is CC1(C)COC(C(C)(C)c2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole?
The InChIKey is NEJAUBJWBBPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(2)10-16-12(15-13)14(3,4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.17, 2 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-phenylpropan-2-yl)-5H-1,3-oxazole is sourced from PubChem (CID 86092669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).