2-(4-butylphenyl)-4-phenyl-1,3-oxazole

C19H19NO — CID 56669361

IUPAC2-(4-butylphenyl)-4-phenyl-1,3-oxazole
SMILESCCCCc1ccc(-c2nc(-c3ccccc3)co2)cc1
InChIInChI=1S/C19H19NO/c1-2-3-7-15-10-12-17(13-11-15)19-20-18(14-21-19)16-8-5-4-6-9-16/h4-6,8-14H,2-3,7H2,1H3
InChIKeySUJQUKFHBCMKBJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.35
Rot. Bonds5

About 2-(4-butylphenyl)-4-phenyl-1,3-oxazole

2-(4-butylphenyl)-4-phenyl-1,3-oxazole (PubChem CID 56669361) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-4-phenyl-1,3-oxazole
PubChem CID56669361
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(4-butylphenyl)-4-phenyl-1,3-oxazole
SMILESCCCCc1ccc(-c2nc(-c3ccccc3)co2)cc1
InChIInChI=1S/C19H19NO/c1-2-3-7-15-10-12-17(13-11-15)19-20-18(14-21-19)16-8-5-4-6-9-16/h4-6,8-14H,2-3,7H2,1H3
InChIKeySUJQUKFHBCMKBJ-UHFFFAOYSA-N
XLogP5.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-4-naphthalen-2-yl-1,3-oxazole
CID 56662555
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
1-butyl-4-phenylbenzene;ethane
CID 143743409
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
1-pentadecyl-4-phenylbenzene
CID 57166115
2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59935127
[3-(2-phenyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115046706
5-[3,5-bis(4-butylphenyl)-2,4,6-trimethylphenyl]-2-phenylpyridine
CID 140777693
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-phenyl-1,3-oxazole?
The IUPAC name of 2-(4-butylphenyl)-4-phenyl-1,3-oxazole (CID 56669361) is 2-(4-butylphenyl)-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(4-butylphenyl)-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-(4-butylphenyl)-4-phenyl-1,3-oxazole is CCCCc1ccc(-c2nc(-c3ccccc3)co2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4-phenyl-1,3-oxazole?
The InChIKey is SUJQUKFHBCMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-3-7-15-10-12-17(13-11-15)19-20-18(14-21-19)16-8-5-4-6-9-16/h4-6,8-14H,2-3,7H2,1H3.
What are the key properties of 2-(4-butylphenyl)-4-phenyl-1,3-oxazole?
2-(4-butylphenyl)-4-phenyl-1,3-oxazole has a molecular weight of 277.37 g/mol, XLogP of 5.35, 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-phenyl-1,3-oxazole is sourced from PubChem (CID 56669361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).