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

C16H11F2N3O2 — CID 43972075

IUPACN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C16H11F2N3O2/c1-9-2-4-10(5-3-9)14(22)19-16-21-20-15(23-16)12-7-6-11(17)8-13(12)18/h2-8H,1H3,(H,19,21,22)
InChIKeySVDSBDGDBRXHOR-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.58
Rot. Bonds3

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

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide (PubChem CID 43972075) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
PubChem CID43972075
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C16H11F2N3O2/c1-9-2-4-10(5-3-9)14(22)19-16-21-20-15(23-16)12-7-6-11(17)8-13(12)18/h2-8H,1H3,(H,19,21,22)
InChIKeySVDSBDGDBRXHOR-UHFFFAOYSA-N
XLogP3.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-3,5-dinitrobenzamide
CID 43972170
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43972096
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43972032
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 7655505
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241
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]-2-(4-fluorophenyl)acetamide
CID 43972042
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-ethylpyrazole-3-carboxamide
CID 43972265
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43972172

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide (CID 43972075) is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)cc1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The InChIKey is SVDSBDGDBRXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c1-9-2-4-10(5-3-9)14(22)19-16-21-20-15(23-16)12-7-6-11(17)8-13(12)18/h2-8H,1H3,(H,19,21,22).
What are the key properties of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide has a molecular weight of 315.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 43972075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).