1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid

C14H22N2O3 — CID 43440870

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)c1cnc(CN2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11-7-15-12(19-11)9-16-6-4-5-10(8-16)13(17)18/h7,10H,4-6,8-9H2,1-3H3,(H,17,18)
InChIKeyFFSRGYPEYPJGAO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.27
Rot. Bonds3

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 43440870) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid
PubChem CID43440870
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)c1cnc(CN2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11-7-15-12(19-11)9-16-6-4-5-10(8-16)13(17)18/h7,10H,4-6,8-9H2,1-3H3,(H,17,18)
InChIKeyFFSRGYPEYPJGAO-UHFFFAOYSA-N
XLogP2.27
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid (CID 43440870) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid is CC(C)(C)c1cnc(CN2CCCC(C(=O)O)C2)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is FFSRGYPEYPJGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)11-7-15-12(19-11)9-16-6-4-5-10(8-16)13(17)18/h7,10H,4-6,8-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).