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

C24H24FN3O3 — CID 43058094

IUPACN-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H24FN3O3/c1-15(16-6-10-20(11-7-16)28-24(30)18-2-3-18)27-22(29)12-13-23-26-14-21(31-23)17-4-8-19(25)9-5-17/h4-11,14-15,18H,2-3,12-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyMKKOPPYYMGJAJC-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.64
Rot. Bonds8

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

N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 43058094) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID43058094
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H24FN3O3/c1-15(16-6-10-20(11-7-16)28-24(30)18-2-3-18)27-22(29)12-13-23-26-14-21(31-23)17-4-8-19(25)9-5-17/h4-11,14-15,18H,2-3,12-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyMKKOPPYYMGJAJC-UHFFFAOYSA-N
XLogP4.64
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51929338
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55584877
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30257663
N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 55802153
N-[4-[1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46472498
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 43058094) is N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is MKKOPPYYMGJAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-15(16-6-10-20(11-7-16)28-24(30)18-2-3-18)27-22(29)12-13-23-26-14-21(31-23)17-4-8-19(25)9-5-17/h4-11,14-15,18H,2-3,12-13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 421.47 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43058094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).