3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one

C19H23NO3 — CID 147928312

IUPAC3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one
SMILESO=C(CCC1CCOC1)c1cc(CCCc2ccccc2)on1
InChIInChI=1S/C19H23NO3/c21-19(10-9-16-11-12-22-14-16)18-13-17(23-20-18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13,16H,4,7-12,14H2
InChIKeyIJJDFIBYXQZMCB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.85
Rot. Bonds8

About 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one

3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one (PubChem CID 147928312) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one
PubChem CID147928312
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one
SMILESO=C(CCC1CCOC1)c1cc(CCCc2ccccc2)on1
InChIInChI=1S/C19H23NO3/c21-19(10-9-16-11-12-22-14-16)18-13-17(23-20-18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13,16H,4,7-12,14H2
InChIKeyIJJDFIBYXQZMCB-UHFFFAOYSA-N
XLogP3.85
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-yl)-1-[5-(4-phenylbutoxymethyl)-1,2-oxazol-3-yl]propan-1-one
CID 148781589
3-(oxolan-3-yl)-1-[5-(6-phenoxyhexyl)-1,2-oxazol-3-yl]propan-1-one
CID 159638649
3-(oxan-4-yl)-1-[5-(5-phenylpentoxymethyl)-1,2-oxazol-3-yl]propan-1-one
CID 162007047
1-[5-(naphthalen-2-ylmethylsulfanylmethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 161166609
5-[3-(4-chlorophenyl)propyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325749
1-[5-[(5-chlorothiophen-2-yl)methoxymethyl]-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 157207857
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
CID 90325844
N-[2-(oxolan-3-yl)ethyl]-3-phenylpropan-1-amine
CID 102671288
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one?
The IUPAC name of 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one (CID 147928312) is 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one.
What is the SMILES notation for 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one?
The canonical SMILES for 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one is O=C(CCC1CCOC1)c1cc(CCCc2ccccc2)on1.
What is the InChIKey of 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one?
The InChIKey is IJJDFIBYXQZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-19(10-9-16-11-12-22-14-16)18-13-17(23-20-18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,13,16H,4,7-12,14H2.
What are the key properties of 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one?
3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one is sourced from PubChem (CID 147928312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).