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

C22H20FN3O3 — CID 26059317

IUPACN-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H20FN3O3/c23-18-4-2-1-3-17(18)19-13-24-21(29-19)12-11-20(27)25-15-7-9-16(10-8-15)26-22(28)14-5-6-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28)
InChIKeyXTZGVKVILZNYOJ-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.40
Rot. Bonds7

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

N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 26059317) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID26059317
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H20FN3O3/c23-18-4-2-1-3-17(18)19-13-24-21(29-19)12-11-20(27)25-15-7-9-16(10-8-15)26-22(28)14-5-6-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28)
InChIKeyXTZGVKVILZNYOJ-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
CID 16600080
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
CID 78866393
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32868629
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide
CID 55497254
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451502
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide (CID 26059317) is N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide is O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is XTZGVKVILZNYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-18-4-2-1-3-17(18)19-13-24-21(29-19)12-11-20(27)25-15-7-9-16(10-8-15)26-22(28)14-5-6-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide?
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 393.42 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 26059317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).