N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide

C25H27FN4O2 — CID 69095239

IUPACN-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1)C1CC1
InChIInChI=1S/C25H27FN4O2/c26-21-16-18(17-28-24(31)20-7-8-20)6-9-22(21)29-11-13-30(14-12-29)23(25-27-10-15-32-25)19-4-2-1-3-5-19/h1-6,9-10,15-16,20,23H,7-8,11-14,17H2,(H,28,31)
InChIKeyABLWAZMPRVGVFS-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.75
Rot. Bonds7

About N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide

N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 69095239) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID69095239
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1)C1CC1
InChIInChI=1S/C25H27FN4O2/c26-21-16-18(17-28-24(31)20-7-8-20)6-9-22(21)29-11-13-30(14-12-29)23(25-27-10-15-32-25)19-4-2-1-3-5-19/h1-6,9-10,15-16,20,23H,7-8,11-14,17H2,(H,28,31)
InChIKeyABLWAZMPRVGVFS-UHFFFAOYSA-N
XLogP3.75
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide (CID 69095239) is N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1)C1CC1.
What is the InChIKey of N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is ABLWAZMPRVGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-21-16-18(17-28-24(31)20-7-8-20)6-9-22(21)29-11-13-30(14-12-29)23(25-27-10-15-32-25)19-4-2-1-3-5-19/h1-6,9-10,15-16,20,23H,7-8,11-14,17H2,(H,28,31).
What are the key properties of N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide?
N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 69095239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).