4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane

C18H27NO2 — CID 123819241

IUPAC4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
SMILESCCCCC.CCCCC1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H15NO2.C5H12/c1-2-3-9-11-13(15)16-12(14-11)10-7-5-4-6-8-10;1-3-5-4-2/h4-8,11H,2-3,9H2,1H3;3-5H2,1-2H3
InChIKeyHYRASKDXTMZBHM-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.75
Rot. Bonds6

About 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane

4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane (PubChem CID 123819241) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane.

Molecular Properties

Compound Name4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
PubChem CID123819241
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
SMILESCCCCC.CCCCC1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H15NO2.C5H12/c1-2-3-9-11-13(15)16-12(14-11)10-7-5-4-6-8-10;1-3-5-4-2/h4-8,11H,2-3,9H2,1H3;3-5H2,1-2H3
InChIKeyHYRASKDXTMZBHM-UHFFFAOYSA-N
XLogP4.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
CID 86111368
4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 2756650
2-phenyl-4-prop-2-enyl-4H-1,3-oxazol-5-one
CID 11127309
(4R)-4-[(4-hydroxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
CID 135070859
4-(2-methylsulfanylethyl)-2-[4-[4-(2-methylsulfanylethyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one
CID 14529607
4-acetyl-2-phenyl-4H-1,3-oxazol-5-one
CID 13223325
4-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
CID 164800110
2-phenyl-4-(propan-2-yliminomethyl)-4H-1,3-oxazol-5-one
CID 7068225
6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 5102402
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
4-butyl-4H-phthalazin-1-one
CID 67689595
2-(4-chlorophenyl)-4-(N-heptyl-C-methylcarbonimidoyl)-4H-1,3-oxazol-5-one
CID 9496808

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane?
The IUPAC name of 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane (CID 123819241) is 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane.
What is the SMILES notation for 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane?
The canonical SMILES for 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane is CCCCC.CCCCC1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane?
The InChIKey is HYRASKDXTMZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.C5H12/c1-2-3-9-11-13(15)16-12(14-11)10-7-5-4-6-8-10;1-3-5-4-2/h4-8,11H,2-3,9H2,1H3;3-5H2,1-2H3.
What are the key properties of 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane?
4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane has a molecular weight of 289.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane is sourced from PubChem (CID 123819241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).