2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide

C23H15F3N4O4 — CID 174473669

IUPAC2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide
SMILESNC(=O)c1ccccc1-c1c(-c2ccncc2)noc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-7-5-14(6-8-15)21(32)29-22-18(16-3-1-2-4-17(16)20(27)31)19(30-34-22)13-9-11-28-12-10-13/h1-12H,(H2,27,31)(H,29,32)
InChIKeyDHZWACGKXUJIRG-UHFFFAOYSA-N
MW468.39 g/mol
LogP4.65
Rot. Bonds6

About 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide

2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide (PubChem CID 174473669) has the molecular formula C23H15F3N4O4 and a molecular weight of 468.39 g/mol. Its IUPAC name is 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide.

Molecular Properties

Compound Name2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide
PubChem CID174473669
Molecular FormulaC23H15F3N4O4
Molecular Weight468.39 g/mol
Exact Mass468.10
IUPAC Name2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide
SMILESNC(=O)c1ccccc1-c1c(-c2ccncc2)noc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-7-5-14(6-8-15)21(32)29-22-18(16-3-1-2-4-17(16)20(27)31)19(30-34-22)13-9-11-28-12-10-13/h1-12H,(H2,27,31)(H,29,32)
InChIKeyDHZWACGKXUJIRG-UHFFFAOYSA-N
XLogP4.65
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide?
The IUPAC name of 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide (CID 174473669) is 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide.
What is the SMILES notation for 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide?
The canonical SMILES for 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide is NC(=O)c1ccccc1-c1c(-c2ccncc2)noc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide?
The InChIKey is DHZWACGKXUJIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-7-5-14(6-8-15)21(32)29-22-18(16-3-1-2-4-17(16)20(27)31)19(30-34-22)13-9-11-28-12-10-13/h1-12H,(H2,27,31)(H,29,32).
What are the key properties of 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide?
2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide has a molecular weight of 468.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-pyridin-4-yl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,2-oxazol-4-yl]benzamide is sourced from PubChem (CID 174473669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).