4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid

C14H22N2O3 — CID 146380674

IUPAC4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1cnc(CC2CCN(C(=O)O)CC2)o1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11-9-15-12(19-11)8-10-4-6-16(7-5-10)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyDVKPTWFUYJYPBG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.90
Rot. Bonds2

About 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid

4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 146380674) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid
PubChem CID146380674
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1cnc(CC2CCN(C(=O)O)CC2)o1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11-9-15-12(19-11)8-10-4-6-16(7-5-10)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyDVKPTWFUYJYPBG-UHFFFAOYSA-N
XLogP2.90
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-((5-(Tert-butyl)oxazol-2-yl)methyl)piperidin-4-yl)methanol
CID 52274438
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 71895082
1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
CID 75376264
5-(2-Fluoropropan-2-yl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
CID 84791009
5-(1,1-Difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
CID 84793599
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109848535
5-Methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole
CID 19018558
5-Methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid
CID 19018570
2-Butyl-5-propan-2-yl-1,3-oxazole
CID 23395162
tert-Butyl 4-(2-methyloxazol-5-yl)piperidine-1-carboxylate
CID 24229301
2-(3-Methylbutyl)-5-propan-2-yl-1,3-oxazole
CID 59202167
4-(5-Tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid
CID 66678056

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid (CID 146380674) is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid is CC(C)(C)c1cnc(CC2CCN(C(=O)O)CC2)o1.
What is the InChIKey of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is DVKPTWFUYJYPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)11-9-15-12(19-11)8-10-4-6-16(7-5-10)13(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid?
4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 146380674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).