N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide

C22H20FN3O3 — CID 41353029

IUPACN-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H20FN3O3/c23-15-7-5-14(6-8-15)19-13-24-21(29-19)12-11-20(27)26-18-4-2-1-3-17(18)22(28)25-16-9-10-16/h1-8,13,16H,9-12H2,(H,25,28)(H,26,27)
InChIKeyLAESOIRWQKTJTO-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.94
Rot. Bonds7

About N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide

N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (PubChem CID 41353029) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
PubChem CID41353029
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H20FN3O3/c23-15-7-5-14(6-8-15)19-13-24-21(29-19)12-11-20(27)26-18-4-2-1-3-17(18)22(28)25-16-9-10-16/h1-8,13,16H,9-12H2,(H,25,28)(H,26,27)
InChIKeyLAESOIRWQKTJTO-UHFFFAOYSA-N
XLogP3.94
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603315
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33373655
N-[4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 16594505
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55912574
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 29353067
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (CID 41353029) is N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The InChIKey is LAESOIRWQKTJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-15-7-5-14(6-8-15)19-13-24-21(29-19)12-11-20(27)26-18-4-2-1-3-17(18)22(28)25-16-9-10-16/h1-8,13,16H,9-12H2,(H,25,28)(H,26,27).
What are the key properties of N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide has a molecular weight of 393.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is sourced from PubChem (CID 41353029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).