2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate

C15H22FN3O4 — CID 46942672

IUPAC2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)NC(=O)c1cc(C2CCCCN2C(=O)OCCF)on1
InChIInChI=1S/C15H22FN3O4/c1-10(2)17-14(20)11-9-13(23-18-11)12-5-3-4-7-19(12)15(21)22-8-6-16/h9-10,12H,3-8H2,1-2H3,(H,17,20)
InChIKeyBKZNHQVLLSQVCC-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.45
Rot. Bonds5

About 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate

2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate (PubChem CID 46942672) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
PubChem CID46942672
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)NC(=O)c1cc(C2CCCCN2C(=O)OCCF)on1
InChIInChI=1S/C15H22FN3O4/c1-10(2)17-14(20)11-9-13(23-18-11)12-5-3-4-7-19(12)15(21)22-8-6-16/h9-10,12H,3-8H2,1-2H3,(H,17,20)
InChIKeyBKZNHQVLLSQVCC-UHFFFAOYSA-N
XLogP2.45
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 5307969
5-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5308762
N-cyclopentyl-5-propyl-1,2-oxazole-3-carboxamide
CID 5307778
2-Fluoroethyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 46943121
Methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 46943789
2-Methylpropyl 2-[3-(phenylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 49786253
2-Fluoroethyl 2-[3-[(4-fluorophenyl)methylcarbamoyl]-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 49786696
2-Methylpropyl 2-[3-(benzylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 49789336
2-Methylpropyl 2-[3-(propylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 49790824
2-Methylpropyl 2-[3-[(4-fluorophenyl)methylcarbamoyl]-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 49791054
N-((2R)-1-((2R,5S)-5-aminotetrahydro-2H-pyran-2-carbonyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242417

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate (CID 46942672) is 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate is CC(C)NC(=O)c1cc(C2CCCCN2C(=O)OCCF)on1.
What is the InChIKey of 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The InChIKey is BKZNHQVLLSQVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4/c1-10(2)17-14(20)11-9-13(23-18-11)12-5-3-4-7-19(12)15(21)22-8-6-16/h9-10,12H,3-8H2,1-2H3,(H,17,20).
What are the key properties of 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate has a molecular weight of 327.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-[3-(propan-2-ylcarbamoyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 46942672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).