2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile

C19H14N2O3 — CID 24799824

IUPAC2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile
SMILESN#Cc1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1
InChIInChI=1S/C19H14N2O3/c20-12-17-13-21-19(24-17)18(22)11-8-14-6-9-16(10-7-14)23-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
InChIKeyITSLQBGAWSNDGU-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.15
Rot. Bonds6

About 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile

2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile (PubChem CID 24799824) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile
PubChem CID24799824
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile
SMILESN#Cc1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1
InChIInChI=1S/C19H14N2O3/c20-12-17-13-21-19(24-17)18(22)11-8-14-6-9-16(10-7-14)23-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
InChIKeyITSLQBGAWSNDGU-UHFFFAOYSA-N
XLogP4.15
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-((1,1'-Biphenyl)-3-yloxy)-1-(1,3-oxazol-2-yl)-1-heptanone
CID 44350718
2-(7-Phenylheptanoyl)oxazole-5-carbonitrile
CID 11991895
1-(1,3-Oxazol-2-yl)-7-(4-phenylphenoxy)heptan-1-one
CID 44350626
7-Naphthalen-2-yloxy-1-(1,3-oxazol-2-yl)heptan-1-one
CID 44350703
3-(4-Phenoxyphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
CID 24799820
2-[3-[4-(Phenoxymethyl)phenyl]propanoyl]-1,3-oxazole-5-carbonitrile
CID 24800335
3-[4-(Phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
CID 24800867
2-(3-(Biphenyl-4-yl)propanoyl)oxazole-5-carbonitrile
CID 24801560
2-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzonitrile
CID 16110636
3-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzonitrile
CID 16110642
1-(5-(3-Methoxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110700
1-(5-(4-Methoxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110705

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile?
The IUPAC name of 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile (CID 24799824) is 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile.
What is the SMILES notation for 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile?
The canonical SMILES for 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile is N#Cc1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1.
What is the InChIKey of 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile?
The InChIKey is ITSLQBGAWSNDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c20-12-17-13-21-19(24-17)18(22)11-8-14-6-9-16(10-7-14)23-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2.
What are the key properties of 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile?
2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile has a molecular weight of 318.33 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile is sourced from PubChem (CID 24799824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).