[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone

C26H38FN5O4 — CID 92986639

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC(C)COC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1
InChIInChI=1S/C26H38FN5O4/c1-20(2)17-35-18-23(33)15-29-7-9-30(10-8-29)16-25-28-24(19-36-25)26(34)32-13-11-31(12-14-32)22-5-3-21(27)4-6-22/h3-6,19-20,23,33H,7-18H2,1-2H3/t23-/m1/s1
InChIKeyWAXDCHVQLMRPAE-HSZRJFAPSA-N
MW503.62 g/mol
LogP1.93
Rot. Bonds10

About [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 92986639) has the molecular formula C26H38FN5O4 and a molecular weight of 503.62 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
PubChem CID92986639
Molecular FormulaC26H38FN5O4
Molecular Weight503.62 g/mol
Exact Mass503.29
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC(C)COC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1
InChIInChI=1S/C26H38FN5O4/c1-20(2)17-35-18-23(33)15-29-7-9-30(10-8-29)16-25-28-24(19-36-25)26(34)32-13-11-31(12-14-32)22-5-3-21(27)4-6-22/h3-6,19-20,23,33H,7-18H2,1-2H3/t23-/m1/s1
InChIKeyWAXDCHVQLMRPAE-HSZRJFAPSA-N
XLogP1.93
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.62
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051435
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986635
[2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 42856039
(4-ethylpiperazin-1-yl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42850996
[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92986674
[4-(2,6-dimethylphenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856041
2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide
CID 46051415
[2-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 42856040
N-(4-chlorophenyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051363
N-(3-fluoro-4-methylphenyl)-2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986434
[4-(2,6-dimethylphenyl)piperazin-1-yl]-[2-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051474
[2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 92986697

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (CID 92986639) is [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is CC(C)COC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is WAXDCHVQLMRPAE-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H38FN5O4/c1-20(2)17-35-18-23(33)15-29-7-9-30(10-8-29)16-25-28-24(19-36-25)26(34)32-13-11-31(12-14-32)22-5-3-21(27)4-6-22/h3-6,19-20,23,33H,7-18H2,1-2H3/t23-/m1/s1.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 503.62 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 92986639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).