N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide

C16H17F2N3O2 — CID 3770409

IUPACN-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1coc(C2CCCNC2)n1
InChIInChI=1S/C16H17F2N3O2/c17-12-4-3-10(13(18)6-12)8-20-15(22)14-9-23-16(21-14)11-2-1-5-19-7-11/h3-4,6,9,11,19H,1-2,5,7-8H2,(H,20,22)
InChIKeyKZIRZFWCNDOEJQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.35
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 3770409) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID3770409
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1coc(C2CCCNC2)n1
InChIInChI=1S/C16H17F2N3O2/c17-12-4-3-10(13(18)6-12)8-20-15(22)14-9-23-16(21-14)11-2-1-5-19-7-11/h3-4,6,9,11,19H,1-2,5,7-8H2,(H,20,22)
InChIKeyKZIRZFWCNDOEJQ-UHFFFAOYSA-N
XLogP2.35
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846083
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3871368
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3421131
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (CID 3770409) is N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is O=C(NCc1ccc(F)cc1F)c1coc(C2CCCNC2)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is KZIRZFWCNDOEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c17-12-4-3-10(13(18)6-12)8-20-15(22)14-9-23-16(21-14)11-2-1-5-19-7-11/h3-4,6,9,11,19H,1-2,5,7-8H2,(H,20,22).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3770409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).