5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid

C24H18N2O5 — CID 70168642

IUPAC5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(COc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1
InChIInChI=1S/C24H18N2O5/c27-20(15-30-19-9-5-2-6-10-19)25-18-13-11-16(12-14-18)22-21(24(28)29)26-23(31-22)17-7-3-1-4-8-17/h1-14H,15H2,(H,25,27)(H,28,29)
InChIKeyJHZOKGGELGZOBN-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.72
Rot. Bonds7

About 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid

5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 70168642) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID70168642
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(COc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1
InChIInChI=1S/C24H18N2O5/c27-20(15-30-19-9-5-2-6-10-19)25-18-13-11-16(12-14-18)22-21(24(28)29)26-23(31-22)17-7-3-1-4-8-17/h1-14H,15H2,(H,25,27)(H,28,29)
InChIKeyJHZOKGGELGZOBN-UHFFFAOYSA-N
XLogP4.72
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70166519
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 712713
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1324569
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
[2-(4-methoxyanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727320
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid (CID 70168642) is 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid is O=C(COc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1.
What is the InChIKey of 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is JHZOKGGELGZOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c27-20(15-30-19-9-5-2-6-10-19)25-18-13-11-16(12-14-18)22-21(24(28)29)26-23(31-22)17-7-3-1-4-8-17/h1-14H,15H2,(H,25,27)(H,28,29).
What are the key properties of 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 414.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70168642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).