methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate

C17H17F2N3O4 — CID 174948884

IUPACmethyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate
SMILESCOC(=O)C1CNCCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C17H17F2N3O4/c1-25-17(24)11-8-20-5-4-13(11)21-16(23)14-7-15(26-22-14)10-3-2-9(18)6-12(10)19/h2-3,6-7,11,13,20H,4-5,8H2,1H3,(H,21,23)
InChIKeyCLMOAZXESRWCRM-UHFFFAOYSA-N
MW365.34 g/mol
LogP1.50
Rot. Bonds4

About methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate

methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate (PubChem CID 174948884) has the molecular formula C17H17F2N3O4 and a molecular weight of 365.34 g/mol. Its IUPAC name is methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate
PubChem CID174948884
Molecular FormulaC17H17F2N3O4
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Namemethyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate
SMILESCOC(=O)C1CNCCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C17H17F2N3O4/c1-25-17(24)11-8-20-5-4-13(11)21-16(23)14-7-15(26-22-14)10-3-2-9(18)6-12(10)19/h2-3,6-7,11,13,20H,4-5,8H2,1H3,(H,21,23)
InChIKeyCLMOAZXESRWCRM-UHFFFAOYSA-N
XLogP1.50
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate?
The IUPAC name of methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate (CID 174948884) is methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate.
What is the SMILES notation for methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate?
The canonical SMILES for methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate is COC(=O)C1CNCCC1NC(=O)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate?
The InChIKey is CLMOAZXESRWCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4/c1-25-17(24)11-8-20-5-4-13(11)21-16(23)14-7-15(26-22-14)10-3-2-9(18)6-12(10)19/h2-3,6-7,11,13,20H,4-5,8H2,1H3,(H,21,23).
What are the key properties of methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate?
methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate has a molecular weight of 365.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate is sourced from PubChem (CID 174948884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).