3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one

C19H19NO3 — CID 149456763

IUPAC3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
SMILESCCCc1ccc(CCC(=O)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H19NO3/c1-2-5-14-8-10-15(11-9-14)12-13-18(21)20-16-6-3-4-7-17(16)23-19(20)22/h3-4,6-11H,2,5,12-13H2,1H3
InChIKeyYYSCJQXIOQYVDE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.82
Rot. Bonds5

About 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one

3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one (PubChem CID 149456763) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
PubChem CID149456763
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
SMILESCCCc1ccc(CCC(=O)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H19NO3/c1-2-5-14-8-10-15(11-9-14)12-13-18(21)20-16-6-3-4-7-17(16)23-19(20)22/h3-4,6-11H,2,5,12-13H2,1H3
InChIKeyYYSCJQXIOQYVDE-UHFFFAOYSA-N
XLogP3.82
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
CID 20965391
N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide
CID 118520233
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
4-phenyl-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)butan-1-one
CID 56671908
3-ethyl-5-propyl-1,3-benzoxazol-2-one
CID 70297213
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
3-[(2S)-2-methylpent-4-enoyl]-1,3-benzoxazol-2-one
CID 134945542
3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one
CID 59907748
3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965388
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110683403
3-(2-ethylsulfanyl-3-hydroxy-2-methylpentanoyl)-1,3-benzoxazol-2-one
CID 70161300

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one (CID 149456763) is 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one is CCCc1ccc(CCC(=O)n2c(=O)oc3ccccc32)cc1.
What is the InChIKey of 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one?
The InChIKey is YYSCJQXIOQYVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-5-14-8-10-15(11-9-14)12-13-18(21)20-16-6-3-4-7-17(16)23-19(20)22/h3-4,6-11H,2,5,12-13H2,1H3.
What are the key properties of 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one?
3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 149456763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).