3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole

C19H21NO — CID 57185312

IUPAC3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCCC(c2ccccc2)c2ccccc2)NOC1
InChIInChI=1S/C19H21NO/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)13-7-12-18-14-15-21-20-18/h1-6,8-11,14,19-20H,7,12-13,15H2
InChIKeyNDIJLZDWCUVQJI-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.41
Rot. Bonds6

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

3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57185312) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole
PubChem CID57185312
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCCC(c2ccccc2)c2ccccc2)NOC1
InChIInChI=1S/C19H21NO/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)13-7-12-18-14-15-21-20-18/h1-6,8-11,14,19-20H,7,12-13,15H2
InChIKeyNDIJLZDWCUVQJI-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4,4-Bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
CID 57118295
5-[(4-Fluorophenyl)methyl]-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91243107
3-[(3-Fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91455781
N-(2-methyl-4,4-diphenylbutan-2-yl)hydroxylamine
CID 134926945
3-Benzyl-2,5-dihydro-1,2-oxazole
CID 57044806
3-(3-Phenylpropyl)-2,5-dihydro-1,2-oxazole
CID 57062385
3-(2-Methyl-6-phenylphenyl)-2,5-dihydro-1,2-oxazole
CID 57223918
3-(2-Phenylethyl)-2,5-dihydro-1,2-oxazole
CID 57252224
3-benzylidene-6H-oxazine
CID 66808048
2,3-Diphenylcyclopenten-1-amine
CID 68894764
3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine
CID 70081595
3-trityl-2H-oxazine
CID 70579892

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole (CID 57185312) is 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole is C1=C(CCCC(c2ccccc2)c2ccccc2)NOC1.
What is the InChIKey of 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is NDIJLZDWCUVQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)13-7-12-18-14-15-21-20-18/h1-6,8-11,14,19-20H,7,12-13,15H2.
What are the key properties of 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole?
3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diphenylbutyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57185312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).