4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole

C16H23NO — CID 70584316

IUPAC4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCC(C)C1COC(C(C)(C)c2ccccc2)=N1
InChIInChI=1S/C16H23NO/c1-5-12(2)14-11-18-15(17-14)16(3,4)13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3
InChIKeyMLNKENXZYFRAON-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.81
Rot. Bonds4

About 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole

4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 70584316) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID70584316
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCC(C)C1COC(C(C)(C)c2ccccc2)=N1
InChIInChI=1S/C16H23NO/c1-5-12(2)14-11-18-15(17-14)16(3,4)13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3
InChIKeyMLNKENXZYFRAON-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole (CID 70584316) is 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole is CCC(C)C1COC(C(C)(C)c2ccccc2)=N1.
What is the InChIKey of 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is MLNKENXZYFRAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-12(2)14-11-18-15(17-14)16(3,4)13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3.
What are the key properties of 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 245.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70584316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).