5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole

C16H23NO — CID 58318352

IUPAC5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)CCCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C16H23NO/c1-16(2,3)11-7-10-14-12-15(17-18-14)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyBZKMDNHVEFZMOG-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.40
Rot. Bonds4

About 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole

5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 58318352) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID58318352
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)CCCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C16H23NO/c1-16(2,3)11-7-10-14-12-15(17-18-14)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyBZKMDNHVEFZMOG-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 58318352) is 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole is CC(C)(C)CCCC1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is BZKMDNHVEFZMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2,3)11-7-10-14-12-15(17-18-14)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3.
What are the key properties of 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 245.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58318352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).