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

C16H26N2O3 — CID 47027248

IUPACethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C16H26N2O3/c1-5-20-15(19)12-6-8-18(9-7-12)11-14-17-10-13(21-14)16(2,3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyIQPWOSFDZFYKIW-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.75
Rot. Bonds4

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

ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 47027248) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate
PubChem CID47027248
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nameethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C16H26N2O3/c1-5-20-15(19)12-6-8-18(9-7-12)11-14-17-10-13(21-14)16(2,3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyIQPWOSFDZFYKIW-UHFFFAOYSA-N
XLogP2.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-((5-(Tert-butyl)oxazol-2-yl)methyl)piperidin-4-yl)methanol
CID 52274438
4-[[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 53529388
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]oxane-4-carboxamide
CID 53621412
5-Tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole
CID 56684365
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 71895082
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 71928387
methyl (6R)-4-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-6-methylmorpholine-2-carboxylate
CID 71919332
ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
CID 75371375
1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
CID 75376264
ethyl (3R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate
CID 99842676
5-Tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 53509739
5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 95143276

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate (CID 47027248) is ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ncc(C(C)(C)C)o2)CC1.
What is the InChIKey of ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is IQPWOSFDZFYKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-20-15(19)12-6-8-18(9-7-12)11-14-17-10-13(21-14)16(2,3)4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 47027248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).