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

C18H23FN4O3 — CID 97333153

IUPACmethyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C
InChIInChI=1S/C18H23FN4O3/c1-13-11-22(8-9-23(13)7-6-17(24)25-2)12-16-20-21-18(26-16)14-4-3-5-15(19)10-14/h3-5,10,13H,6-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyANVXQCBZJOJNSJ-CYBMUJFWSA-N
MW362.41 g/mol
LogP1.94
Rot. Bonds6

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

methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate (PubChem CID 97333153) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate
PubChem CID97333153
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Namemethyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C
InChIInChI=1S/C18H23FN4O3/c1-13-11-22(8-9-23(13)7-6-17(24)25-2)12-16-20-21-18(26-16)14-4-3-5-15(19)10-14/h3-5,10,13H,6-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyANVXQCBZJOJNSJ-CYBMUJFWSA-N
XLogP1.94
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56802281
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124853039
2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895024
methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate
CID 129374038
2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95721312
2-(3-methoxyphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110652797
4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898257
N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50848219
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
[1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 91841440
methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate
CID 78982319
4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95720641

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate (CID 97333153) is methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate is COC(=O)CCN1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C.
What is the InChIKey of methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate?
The InChIKey is ANVXQCBZJOJNSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-13-11-22(8-9-23(13)7-6-17(24)25-2)12-16-20-21-18(26-16)14-4-3-5-15(19)10-14/h3-5,10,13H,6-9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate?
methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate has a molecular weight of 362.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate is sourced from PubChem (CID 97333153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).