(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid

C14H17N3O4 — CID 68990967

IUPAC(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN[C@H](CCOc2noc3ccccc23)C1
InChIInChI=1S/C14H17N3O4/c18-14(19)17-7-6-15-10(9-17)5-8-20-13-11-3-1-2-4-12(11)21-16-13/h1-4,10,15H,5-9H2,(H,18,19)/t10-/m1/s1
InChIKeyRGCMSFZZGFULHI-SNVBAGLBSA-N
MW291.31 g/mol
LogP1.55
Rot. Bonds4

About (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid

(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid (PubChem CID 68990967) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid
PubChem CID68990967
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN[C@H](CCOc2noc3ccccc23)C1
InChIInChI=1S/C14H17N3O4/c18-14(19)17-7-6-15-10(9-17)5-8-20-13-11-3-1-2-4-12(11)21-16-13/h1-4,10,15H,5-9H2,(H,18,19)/t10-/m1/s1
InChIKeyRGCMSFZZGFULHI-SNVBAGLBSA-N
XLogP1.55
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985329
3-[2-(3,4-dimethylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 69174887
(3R)-3-[2-(4-methylsulfonylphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985680
3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
CID 84726604
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087
(3R)-3-[2-[4-(trifluoromethylsulfonyl)phenoxy]ethyl]piperazine-1-carboxylic acid
CID 68988926
(3R)-3-[2-(3-phenylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid
CID 68985579
(3R)-3-[2-[2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]piperazine-1-carboxylic acid
CID 68985765
(3R)-3-[2-(4-ethoxycarbonyl-2-methoxyphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68990033
(3R)-3-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carboxylic acid
CID 68988962
3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole
CID 22068269
(3R)-3-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride
CID 68988961

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid (CID 68990967) is (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid is O=C(O)N1CCN[C@H](CCOc2noc3ccccc23)C1.
What is the InChIKey of (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid?
The InChIKey is RGCMSFZZGFULHI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-14(19)17-7-6-15-10(9-17)5-8-20-13-11-3-1-2-4-12(11)21-16-13/h1-4,10,15H,5-9H2,(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid?
(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68990967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).