(3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid

C16H19FN4O4 — CID 68985765

IUPAC(3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid
SMILESCc1nnc(-c2ccc(OCC[C@@H]3CN(C(=O)O)CCN3)c(F)c2)o1
InChIInChI=1S/C16H19FN4O4/c1-10-19-20-15(25-10)11-2-3-14(13(17)8-11)24-7-4-12-9-21(16(22)23)6-5-18-12/h2-3,8,12,18H,4-7,9H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyYTPHMLFUMSEKPF-GFCCVEGCSA-N
MW350.35 g/mol
LogP1.90
Rot. Bonds5

About (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid

(3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid (PubChem CID 68985765) has the molecular formula C16H19FN4O4 and a molecular weight of 350.35 g/mol. Its IUPAC name is (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid
PubChem CID68985765
Molecular FormulaC16H19FN4O4
Molecular Weight350.35 g/mol
Exact Mass350.14
IUPAC Name(3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid
SMILESCc1nnc(-c2ccc(OCC[C@@H]3CN(C(=O)O)CCN3)c(F)c2)o1
InChIInChI=1S/C16H19FN4O4/c1-10-19-20-15(25-10)11-2-3-14(13(17)8-11)24-7-4-12-9-21(16(22)23)6-5-18-12/h2-3,8,12,18H,4-7,9H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyYTPHMLFUMSEKPF-GFCCVEGCSA-N
XLogP1.90
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

3-[2-(3,4-dimethylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 69174887
(3R)-3-[2-(4-ethoxycarbonyl-2-methoxyphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68990033
(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid
CID 68990967
(3R)-3-[2-(4-methylsulfonylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985680
2-(2,4-difluorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124694108
(3R)-3-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carboxylic acid
CID 68988962
(3R)-3-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride
CID 68988961
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
benzyl (3R)-3-[2-(3-fluoro-4-methoxycarbonylphenoxy)ethyl]piperazine-1-carboxylate
CID 91409974
(3R)-3-[2-[(7-bromo-6-chloro-4-oxo-3H-quinazolin-5-yl)oxy]ethyl]piperazine-1-carboxylic acid
CID 146461279
(3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone
CID 147841915
3-(1,3-benzodioxol-5-yloxymethyl)piperazine-1-carboxylic acid
CID 69263616

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid (CID 68985765) is (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid is Cc1nnc(-c2ccc(OCC[C@@H]3CN(C(=O)O)CCN3)c(F)c2)o1.
What is the InChIKey of (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid?
The InChIKey is YTPHMLFUMSEKPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN4O4/c1-10-19-20-15(25-10)11-2-3-14(13(17)8-11)24-7-4-12-9-21(16(22)23)6-5-18-12/h2-3,8,12,18H,4-7,9H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid?
(3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid has a molecular weight of 350.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68985765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).