3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C16H13NO4 — CID 19863011

IUPAC3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(Oc3ccccc3)cc2)=NO1
InChIInChI=1S/C16H13NO4/c18-16(19)15-10-14(17-21-15)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19)
InChIKeyFVPNSCCZTXKYKW-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.06
Rot. Bonds4

About 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 19863011) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID19863011
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(Oc3ccccc3)cc2)=NO1
InChIInChI=1S/C16H13NO4/c18-16(19)15-10-14(17-21-15)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19)
InChIKeyFVPNSCCZTXKYKW-UHFFFAOYSA-N
XLogP3.06
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25115103
(4Z)-4-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679283
Ca-in-5g
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(4Z)-4-[4-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
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(4Z)-4-[4-[(E)-1-(4-fluoro-3-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46229903
5-[[4-[2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-2-methyl-1,3-dioxane-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 19863011) is 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1CC(c2ccc(Oc3ccccc3)cc2)=NO1.
What is the InChIKey of 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is FVPNSCCZTXKYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-16(19)15-10-14(17-21-15)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19).
What are the key properties of 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 19863011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).