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

C17H23FN4O2 — CID 124853039

IUPAC(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@H]1C
InChIInChI=1S/C17H23FN4O2/c1-12-9-21(7-8-22(12)10-13(2)23)11-16-19-20-17(24-16)14-3-5-15(18)6-4-14/h3-6,12-13,23H,7-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyHGCZKSVUDJNBOP-OLZOCXBDSA-N
MW334.40 g/mol
LogP1.76
Rot. Bonds5

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

(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 124853039) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID124853039
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@H]1C
InChIInChI=1S/C17H23FN4O2/c1-12-9-21(7-8-22(12)10-13(2)23)11-16-19-20-17(24-16)14-3-5-15(18)6-4-14/h3-6,12-13,23H,7-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyHGCZKSVUDJNBOP-OLZOCXBDSA-N
XLogP1.76
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98763700
(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
2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56802281
2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65447710
2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 86895063
methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate
CID 97333153
2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 62672288
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
CID 80701819
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594
2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895024
1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 86895568

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 124853039) is (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@H]1C.
What is the InChIKey of (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is HGCZKSVUDJNBOP-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-12-9-21(7-8-22(12)10-13(2)23)11-16-19-20-17(24-16)14-3-5-15(18)6-4-14/h3-6,12-13,23H,7-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol?
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 334.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124853039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).