N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide

C13H10F2N2O2 — CID 3236796

IUPACN-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1noc2c1CCC2
InChIInChI=1S/C13H10F2N2O2/c14-7-4-5-10(9(15)6-7)16-13(18)12-8-2-1-3-11(8)19-17-12/h4-6H,1-3H2,(H,16,18)
InChIKeyLRNPSGUAFBKGRH-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.69
Rot. Bonds2

About N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide

N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (PubChem CID 3236796) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
PubChem CID3236796
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC NameN-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1noc2c1CCC2
InChIInChI=1S/C13H10F2N2O2/c14-7-4-5-10(9(15)6-7)16-13(18)12-8-2-1-3-11(8)19-17-12/h4-6H,1-3H2,(H,16,18)
InChIKeyLRNPSGUAFBKGRH-UHFFFAOYSA-N
XLogP2.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3353691
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
5-methyl-4-nitro-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864724
5-methyl-4-nitro-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864725
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3236125
N-[2-(methylthio)phenyl]-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3238925
N-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
CID 3361256

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (CID 3236796) is N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1noc2c1CCC2.
What is the InChIKey of N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The InChIKey is LRNPSGUAFBKGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-7-4-5-10(9(15)6-7)16-13(18)12-8-2-1-3-11(8)19-17-12/h4-6H,1-3H2,(H,16,18).
What are the key properties of N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide has a molecular weight of 264.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 3236796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).