4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole

C16H23NO — CID 20813396

IUPAC4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCC(CC(C)C1=NC(C)CO1)c1ccccc1
InChIInChI=1S/C16H23NO/c1-4-14(15-8-6-5-7-9-15)10-12(2)16-17-13(3)11-18-16/h5-9,12-14H,4,10-11H2,1-3H3
InChIKeyCIRKXVLHPVWQNQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.02
Rot. Bonds5

About 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole

4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 20813396) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID20813396
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCC(CC(C)C1=NC(C)CO1)c1ccccc1
InChIInChI=1S/C16H23NO/c1-4-14(15-8-6-5-7-9-15)10-12(2)16-17-13(3)11-18-16/h5-9,12-14H,4,10-11H2,1-3H3
InChIKeyCIRKXVLHPVWQNQ-UHFFFAOYSA-N
XLogP4.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole (CID 20813396) is 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole is CCC(CC(C)C1=NC(C)CO1)c1ccccc1.
What is the InChIKey of 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CIRKXVLHPVWQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-14(15-8-6-5-7-9-15)10-12(2)16-17-13(3)11-18-16/h5-9,12-14H,4,10-11H2,1-3H3.
What are the key properties of 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole?
4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 245.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylhexan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 20813396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).