(3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid

C15H18N4O4 — CID 134500319

IUPAC(3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nnco2)[C@H](COCc2ccccc2)C1
InChIInChI=1S/C15H18N4O4/c20-15(21)18-6-7-19(14-17-16-11-23-14)13(8-18)10-22-9-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,20,21)/t13-/m0/s1
InChIKeyMBYPNJHERSNPRW-ZDUSSCGKSA-N
MW318.33 g/mol
LogP1.46
Rot. Bonds5

About (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid

(3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid (PubChem CID 134500319) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid
PubChem CID134500319
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name(3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nnco2)[C@H](COCc2ccccc2)C1
InChIInChI=1S/C15H18N4O4/c20-15(21)18-6-7-19(14-17-16-11-23-14)13(8-18)10-22-9-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,20,21)/t13-/m0/s1
InChIKeyMBYPNJHERSNPRW-ZDUSSCGKSA-N
XLogP1.46
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250
4-(phenylmethoxymethyl)oxathiazolidine-3-carboxylic acid
CID 135371846
benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 171373542
6-bromo-3-(phenylmethoxymethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxylic acid
CID 129030887
(3S)-6-bromo-3-(phenylmethoxymethyl)-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxylic acid
CID 129030885
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid
CID 69005272
benzyl (7S,9aR)-6,9-dioxo-7-(phenylmethoxymethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 56858955
benzyl (3S)-4-(formamidocarbamoyl)-3-(phenylmethoxymethyl)piperazine-1-carboxylate
CID 140869930
(2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid
CID 118306605
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid?
The IUPAC name of (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid (CID 134500319) is (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid?
The canonical SMILES for (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2nnco2)[C@H](COCc2ccccc2)C1.
What is the InChIKey of (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid?
The InChIKey is MBYPNJHERSNPRW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-15(21)18-6-7-19(14-17-16-11-23-14)13(8-18)10-22-9-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid?
(3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(1,3,4-oxadiazol-2-yl)-3-(phenylmethoxymethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 134500319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).