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

C25H20N2O4 — CID 70166519

IUPAC2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1
InChIInChI=1S/C25H20N2O4/c28-21(16-11-17-7-3-1-4-8-17)26-20-14-12-18(13-15-20)23-22(25(29)30)27-24(31-23)19-9-5-2-6-10-19/h1-10,12-15H,11,16H2,(H,26,28)(H,29,30)
InChIKeyKYFCDPZKUWKROD-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.28
Rot. Bonds7

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

2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 70166519) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid
PubChem CID70166519
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1
InChIInChI=1S/C25H20N2O4/c28-21(16-11-17-7-3-1-4-8-17)26-20-14-12-18(13-15-20)23-22(25(29)30)27-24(31-23)19-9-5-2-6-10-19/h1-10,12-15H,11,16H2,(H,26,28)(H,29,30)
InChIKeyKYFCDPZKUWKROD-UHFFFAOYSA-N
XLogP5.28
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168642
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid (CID 70166519) is 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid is O=C(CCc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1.
What is the InChIKey of 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is KYFCDPZKUWKROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c28-21(16-11-17-7-3-1-4-8-17)26-20-14-12-18(13-15-20)23-22(25(29)30)27-24(31-23)19-9-5-2-6-10-19/h1-10,12-15H,11,16H2,(H,26,28)(H,29,30).
What are the key properties of 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid?
2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 412.45 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70166519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).