3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H18F3N3O4 — CID 27990480

IUPAC3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H18F3N3O4/c25-24(26,27)16-6-4-8-18(14-16)29-22(32)15-5-3-7-17(13-15)28-21(31)11-12-30-19-9-1-2-10-20(19)34-23(30)33/h1-10,13-14H,11-12H2,(H,28,31)(H,29,32)
InChIKeyOPQFXJIEBZYILX-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.89
Rot. Bonds6

About 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 27990480) has the molecular formula C24H18F3N3O4 and a molecular weight of 469.42 g/mol. Its IUPAC name is 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID27990480
Molecular FormulaC24H18F3N3O4
Molecular Weight469.42 g/mol
Exact Mass469.12
IUPAC Name3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H18F3N3O4/c25-24(26,27)16-6-4-8-18(14-16)29-22(32)15-5-3-7-17(13-15)28-21(31)11-12-30-19-9-1-2-10-20(19)34-23(30)33/h1-10,13-14H,11-12H2,(H,28,31)(H,29,32)
InChIKeyOPQFXJIEBZYILX-UHFFFAOYSA-N
XLogP4.89
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]propanamide
CID 31871907
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 24573134
3-[3-(2-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795446
3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 55447993
3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60601250
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 27990480) is 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OPQFXJIEBZYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O4/c25-24(26,27)16-6-4-8-18(14-16)29-22(32)15-5-3-7-17(13-15)28-21(31)11-12-30-19-9-1-2-10-20(19)34-23(30)33/h1-10,13-14H,11-12H2,(H,28,31)(H,29,32).
What are the key properties of 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 469.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 27990480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).