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

C15H24N2O3 — CID 63137591

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ncc(C(C)(C)C)o2)C1
InChIInChI=1S/C15H24N2O3/c1-14(2,3)11-8-16-12(20-11)9-17-7-5-6-15(4,10-17)13(18)19/h8H,5-7,9-10H2,1-4H3,(H,18,19)
InChIKeyIZUKEFWRSWRGDT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.66
Rot. Bonds3

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

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63137591) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63137591
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ncc(C(C)(C)C)o2)C1
InChIInChI=1S/C15H24N2O3/c1-14(2,3)11-8-16-12(20-11)9-17-7-5-6-15(4,10-17)13(18)19/h8H,5-7,9-10H2,1-4H3,(H,18,19)
InChIKeyIZUKEFWRSWRGDT-UHFFFAOYSA-N
XLogP2.66
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-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

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid (CID 63137591) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(Cc2ncc(C(C)(C)C)o2)C1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is IZUKEFWRSWRGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-14(2,3)11-8-16-12(20-11)9-17-7-5-6-15(4,10-17)13(18)19/h8H,5-7,9-10H2,1-4H3,(H,18,19).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.66, 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]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).