(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol

C18H24FN3O2 — CID 95602167

IUPAC(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1C
InChIInChI=1S/C18H24FN3O2/c1-13-10-21(7-8-22(13)11-14(2)23)12-18-20-9-17(24-18)15-3-5-16(19)6-4-15/h3-6,9,13-14,23H,7-8,10-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyCJFHPONEPGYUME-UONOGXRCSA-N
MW333.41 g/mol
LogP2.37
Rot. Bonds5

About (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol

(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 95602167) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID95602167
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1C
InChIInChI=1S/C18H24FN3O2/c1-13-10-21(7-8-22(13)11-14(2)23)12-18-20-9-17(24-18)15-3-5-16(19)6-4-15/h3-6,9,13-14,23H,7-8,10-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyCJFHPONEPGYUME-UONOGXRCSA-N
XLogP2.37
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 95602167) is (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1C.
What is the InChIKey of (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is CJFHPONEPGYUME-UONOGXRCSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-10-21(7-8-22(13)11-14(2)23)12-18-20-9-17(24-18)15-3-5-16(19)6-4-15/h3-6,9,13-14,23H,7-8,10-12H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 333.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95602167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).