5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide

C28H19FN4O3 — CID 70168521

IUPAC5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccccn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H19FN4O3/c29-21-13-9-19(10-14-21)26(34)31-22-15-11-18(12-16-22)25-24(27(35)32-23-8-4-5-17-30-23)33-28(36-25)20-6-2-1-3-7-20/h1-17H,(H,31,34)(H,30,32,35)
InChIKeyBZRWWBDXSCPGHC-UHFFFAOYSA-N
MW478.48 g/mol
LogP6.05
Rot. Bonds6

About 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide

5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 70168521) has the molecular formula C28H19FN4O3 and a molecular weight of 478.48 g/mol. Its IUPAC name is 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID70168521
Molecular FormulaC28H19FN4O3
Molecular Weight478.48 g/mol
Exact Mass478.14
IUPAC Name5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccccn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H19FN4O3/c29-21-13-9-19(10-14-21)26(34)31-22-15-11-18(12-16-22)25-24(27(35)32-23-8-4-5-17-30-23)33-28(36-25)20-6-2-1-3-7-20/h1-17H,(H,31,34)(H,30,32,35)
InChIKeyBZRWWBDXSCPGHC-UHFFFAOYSA-N
XLogP6.05
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.48
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
CID 142162629
5-(4-acetamidophenyl)-N-(4-methyl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 142162300
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 44547579
5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545
5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 158019660
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
3-fluoro-N-[4-[2-phenyl-4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]benzamide
CID 70165247

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide (CID 70168521) is 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccccn2)cc1)c1ccc(F)cc1.
What is the InChIKey of 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is BZRWWBDXSCPGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4O3/c29-21-13-9-19(10-14-21)26(34)31-22-15-11-18(12-16-22)25-24(27(35)32-23-8-4-5-17-30-23)33-28(36-25)20-6-2-1-3-7-20/h1-17H,(H,31,34)(H,30,32,35).
What are the key properties of 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide?
5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 478.48 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70168521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).