N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide

C15H15F2N3O2 — CID 138495601

IUPACN-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)c(C)c1NC=O
InChIInChI=1S/C15H15F2N3O2/c1-8-3-4-11(9(2)12(8)18-7-21)13-19-14(22-20-13)10-5-15(16,17)6-10/h3-4,7,10H,5-6H2,1-2H3,(H,18,21)
InChIKeyIKMYWTFVMIDRDX-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.43
Rot. Bonds4

About N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide

N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide (PubChem CID 138495601) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide.

Molecular Properties

Compound NameN-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide
PubChem CID138495601
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC NameN-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)c(C)c1NC=O
InChIInChI=1S/C15H15F2N3O2/c1-8-3-4-11(9(2)12(8)18-7-21)13-19-14(22-20-13)10-5-15(16,17)6-10/h3-4,7,10H,5-6H2,1-2H3,(H,18,21)
InChIKeyIKMYWTFVMIDRDX-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide?
The IUPAC name of N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide (CID 138495601) is N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide.
What is the SMILES notation for N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide?
The canonical SMILES for N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)c(C)c1NC=O.
What is the InChIKey of N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide?
The InChIKey is IKMYWTFVMIDRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-8-3-4-11(9(2)12(8)18-7-21)13-19-14(22-20-13)10-5-15(16,17)6-10/h3-4,7,10H,5-6H2,1-2H3,(H,18,21).
What are the key properties of N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide?
N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide has a molecular weight of 307.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]formamide is sourced from PubChem (CID 138495601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).