2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one

C18H20N2O4 — CID 86111368

IUPAC2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
SMILESCCCC1N=C(c2ccc(C3=NC(CCC)C(=O)O3)cc2)OC1=O
InChIInChI=1S/C18H20N2O4/c1-3-5-13-17(21)23-15(19-13)11-7-9-12(10-8-11)16-20-14(6-4-2)18(22)24-16/h7-10,13-14H,3-6H2,1-2H3
InChIKeyHJVNKNOWFJZJDS-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one

2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one (PubChem CID 86111368) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
PubChem CID86111368
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
SMILESCCCC1N=C(c2ccc(C3=NC(CCC)C(=O)O3)cc2)OC1=O
InChIInChI=1S/C18H20N2O4/c1-3-5-13-17(21)23-15(19-13)11-7-9-12(10-8-11)16-20-14(6-4-2)18(22)24-16/h7-10,13-14H,3-6H2,1-2H3
InChIKeyHJVNKNOWFJZJDS-UHFFFAOYSA-N
XLogP2.63
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one with MolForge

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Related Compounds

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-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
CID 123819241
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
2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide
CID 15296045
2-(4-chlorophenyl)-4-(N-hexyl-C-methylcarbonimidoyl)-4H-1,3-oxazol-5-one
CID 7095289
2-(4-chlorophenyl)-4-(N-heptyl-C-methylcarbonimidoyl)-4H-1,3-oxazol-5-one
CID 9496808
4-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
CID 164800110
methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate
CID 67547246
5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one
CID 19881966
4-acetyl-2-phenyl-4H-1,3-oxazol-5-one
CID 13223325

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one (CID 86111368) is 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one is CCCC1N=C(c2ccc(C3=NC(CCC)C(=O)O3)cc2)OC1=O.
What is the InChIKey of 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one?
The InChIKey is HJVNKNOWFJZJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-5-13-17(21)23-15(19-13)11-7-9-12(10-8-11)16-20-14(6-4-2)18(22)24-16/h7-10,13-14H,3-6H2,1-2H3.
What are the key properties of 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one?
2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one has a molecular weight of 328.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 86111368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).