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

C16H26N2O3 — CID 63136960

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2ncc(C(C)(C)C)o2)C1
InChIInChI=1S/C16H26N2O3/c1-5-16(14(19)20)7-6-8-18(11-16)10-13-17-9-12(21-13)15(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,19,20)
InChIKeyRGVYJISOGHPYID-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.05
Rot. Bonds4

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

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63136960) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID63136960
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2ncc(C(C)(C)C)o2)C1
InChIInChI=1S/C16H26N2O3/c1-5-16(14(19)20)7-6-8-18(11-16)10-13-17-9-12(21-13)15(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,19,20)
InChIKeyRGVYJISOGHPYID-UHFFFAOYSA-N
XLogP3.05
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.05
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]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid (CID 63136960) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid is CCC1(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-ethylpiperidine-3-carboxylic acid?
The InChIKey is RGVYJISOGHPYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-16(14(19)20)7-6-8-18(11-16)10-13-17-9-12(21-13)15(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,19,20).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 3.05, 4 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-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).