2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole

C23H21NO — CID 56662555

IUPAC2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole
SMILESCCCCc1ccc(-c2nc(-c3ccc4ccccc4c3)co2)cc1
InChIInChI=1S/C23H21NO/c1-2-3-6-17-9-11-19(12-10-17)23-24-22(16-25-23)21-14-13-18-7-4-5-8-20(18)15-21/h4-5,7-16H,2-3,6H2,1H3
InChIKeySDFHUXRWUOFHMG-UHFFFAOYSA-N
MW327.43 g/mol
LogP6.50
Rot. Bonds5

About 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole

2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole (PubChem CID 56662555) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole
PubChem CID56662555
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole
SMILESCCCCc1ccc(-c2nc(-c3ccc4ccccc4c3)co2)cc1
InChIInChI=1S/C23H21NO/c1-2-3-6-17-9-11-19(12-10-17)23-24-22(16-25-23)21-14-13-18-7-4-5-8-20(18)15-21/h4-5,7-16H,2-3,6H2,1H3
InChIKeySDFHUXRWUOFHMG-UHFFFAOYSA-N
XLogP6.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-4-phenyl-1,3-oxazole
CID 56669361
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59935127
ethane;2-hexylnaphthalene
CID 142191207
2-(2-butylphenyl)naphthalene
CID 58626566
[3-(2-phenyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115046706
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669
2-phenyl-4-propyl-1,3-oxazole
CID 23537835

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole?
The IUPAC name of 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole (CID 56662555) is 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole?
The canonical SMILES for 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole is CCCCc1ccc(-c2nc(-c3ccc4ccccc4c3)co2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole?
The InChIKey is SDFHUXRWUOFHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-2-3-6-17-9-11-19(12-10-17)23-24-22(16-25-23)21-14-13-18-7-4-5-8-20(18)15-21/h4-5,7-16H,2-3,6H2,1H3.
What are the key properties of 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole?
2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole has a molecular weight of 327.43 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole is sourced from PubChem (CID 56662555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).