[3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone

C21H17F3N2O2 — CID 11485981

IUPAC[3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCCC(c2ncc(-c3ccc(F)c(F)c3)o2)C1
InChIInChI=1S/C21H17F3N2O2/c22-16-6-2-1-5-15(16)21(27)26-9-3-4-14(12-26)20-25-11-19(28-20)13-7-8-17(23)18(24)10-13/h1-2,5-8,10-11,14H,3-4,9,12H2
InChIKeyRQZZVNUEQRBCBA-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.78
Rot. Bonds3

About [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone

[3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 11485981) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID11485981
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name[3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCCC(c2ncc(-c3ccc(F)c(F)c3)o2)C1
InChIInChI=1S/C21H17F3N2O2/c22-16-6-2-1-5-15(16)21(27)26-9-3-4-14(12-26)20-25-11-19(28-20)13-7-8-17(23)18(24)10-13/h1-2,5-8,10-11,14H,3-4,9,12H2
InChIKeyRQZZVNUEQRBCBA-UHFFFAOYSA-N
XLogP4.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

OL-135
CID 10427006
1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
CID 7105
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-fluorophenyl)hept-6-yne
CID 16735620
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-fluorophenyl)hept-6-yne
CID 16735621
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 16736220
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-fluorophenyl)hept-6-yne
CID 16736419
7-(2-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736627

Frequently Asked Questions

What is the IUPAC name of [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone (CID 11485981) is [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCCC(c2ncc(-c3ccc(F)c(F)c3)o2)C1.
What is the InChIKey of [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is RQZZVNUEQRBCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-16-6-2-1-5-15(16)21(27)26-9-3-4-14(12-26)20-25-11-19(28-20)13-7-8-17(23)18(24)10-13/h1-2,5-8,10-11,14H,3-4,9,12H2.
What are the key properties of [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone?
[3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 386.37 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 11485981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).