N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C22H30FN5O4 — CID 92986194

IUPACN-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1coc(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)n1
InChIInChI=1S/C22H30FN5O4/c23-17-2-1-3-18(12-17)24-22(30)20-16-32-21(25-20)15-27-6-4-26(5-7-27)13-19(29)14-28-8-10-31-11-9-28/h1-3,12,16,19,29H,4-11,13-15H2,(H,24,30)/t19-/m1/s1
InChIKeyAMMFTEZWCXJRGG-LJQANCHMSA-N
MW447.51 g/mol
LogP0.88
Rot. Bonds8

About N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 92986194) has the molecular formula C22H30FN5O4 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID92986194
Molecular FormulaC22H30FN5O4
Molecular Weight447.51 g/mol
Exact Mass447.23
IUPAC NameN-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1coc(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)n1
InChIInChI=1S/C22H30FN5O4/c23-17-2-1-3-18(12-17)24-22(30)20-16-32-21(25-20)15-27-6-4-26(5-7-27)13-19(29)14-28-8-10-31-11-9-28/h1-3,12,16,19,29H,4-11,13-15H2,(H,24,30)/t19-/m1/s1
InChIKeyAMMFTEZWCXJRGG-LJQANCHMSA-N
XLogP0.88
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-[3-(diethylamino)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46051210
N-(4-chlorophenyl)-2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986509
N-(3-fluorophenyl)-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051636
N-(3-chloro-4-methylphenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986532
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986478
2-[[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]methyl]-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 92986309
N-(3-fluorophenyl)-2-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051627
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986474
2-[[4-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 42855795
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46055785
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986472

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 92986194) is N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is O=C(Nc1cccc(F)c1)c1coc(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AMMFTEZWCXJRGG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30FN5O4/c23-17-2-1-3-18(12-17)24-22(30)20-16-32-21(25-20)15-27-6-4-26(5-7-27)13-19(29)14-28-8-10-31-11-9-28/h1-3,12,16,19,29H,4-11,13-15H2,(H,24,30)/t19-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 92986194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).