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

C18H24FN3O2 — CID 98763700

IUPAC(2S)-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-KBPBESRZSA-N
MW333.41 g/mol
LogP2.37
Rot. Bonds5

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

(2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 98763700) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID98763700
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2S)-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-KBPBESRZSA-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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Related Compounds

(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95602167
1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 56778692
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124853039
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368
4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
CID 9027611
(2S)-1-[(2R)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778927
5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 18136751
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602161
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56802281

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 98763700) is (2S)-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 (2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-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 (2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is CJFHPONEPGYUME-KBPBESRZSA-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 (2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
(2S)-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 (2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 98763700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).