(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid

C16H15N3O3 — CID 141188442

IUPAC(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid
SMILESN#Cc1cccc(-c2cc([C@H]3CCCCN3C(=O)O)no2)c1
InChIInChI=1S/C16H15N3O3/c17-10-11-4-3-5-12(8-11)15-9-13(18-22-15)14-6-1-2-7-19(14)16(20)21/h3-5,8-9,14H,1-2,6-7H2,(H,20,21)/t14-/m1/s1
InChIKeyJWKYGRCXLXIVOV-CQSZACIVSA-N
MW297.31 g/mol
LogP3.42
Rot. Bonds2

About (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid

(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid (PubChem CID 141188442) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid
PubChem CID141188442
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid
SMILESN#Cc1cccc(-c2cc([C@H]3CCCCN3C(=O)O)no2)c1
InChIInChI=1S/C16H15N3O3/c17-10-11-4-3-5-12(8-11)15-9-13(18-22-15)14-6-1-2-7-19(14)16(20)21/h3-5,8-9,14H,1-2,6-7H2,(H,20,21)/t14-/m1/s1
InChIKeyJWKYGRCXLXIVOV-CQSZACIVSA-N
XLogP3.42
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid (CID 141188442) is (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid is N#Cc1cccc(-c2cc([C@H]3CCCCN3C(=O)O)no2)c1.
What is the InChIKey of (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid?
The InChIKey is JWKYGRCXLXIVOV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-10-11-4-3-5-12(8-11)15-9-13(18-22-15)14-6-1-2-7-19(14)16(20)21/h3-5,8-9,14H,1-2,6-7H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid?
(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141188442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).