N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

C13H7F2N3O3 — CID 43972032

IUPACN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2F)o1)c1ccco1
InChIInChI=1S/C13H7F2N3O3/c14-7-3-4-8(9(15)6-7)12-17-18-13(21-12)16-11(19)10-2-1-5-20-10/h1-6H,(H,16,18,19)
InChIKeyCHNKXRKUJACIJS-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.86
Rot. Bonds3

About N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 43972032) has the molecular formula C13H7F2N3O3 and a molecular weight of 291.21 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID43972032
Molecular FormulaC13H7F2N3O3
Molecular Weight291.21 g/mol
Exact Mass291.05
IUPAC NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2F)o1)c1ccco1
InChIInChI=1S/C13H7F2N3O3/c14-7-3-4-8(9(15)6-7)12-17-18-13(21-12)16-11(19)10-2-1-5-20-10/h1-6H,(H,16,18,19)
InChIKeyCHNKXRKUJACIJS-UHFFFAOYSA-N
XLogP2.86
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
CID 43972157
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 43972042
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43972170
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 43972132
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43972172
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 43972269
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-ethylpyrazole-3-carboxamide
CID 43972265
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 42110858
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050490

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 43972032) is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(-c2ccc(F)cc2F)o1)c1ccco1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is CHNKXRKUJACIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O3/c14-7-3-4-8(9(15)6-7)12-17-18-13(21-12)16-11(19)10-2-1-5-20-10/h1-6H,(H,16,18,19).
What are the key properties of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 291.21 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 43972032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).