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

C14H13F2N3O2 — CID 138495571

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide
SMILESCc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1NC=O
InChIInChI=1S/C14H13F2N3O2/c1-8-2-3-9(4-11(8)17-7-20)12-18-19-13(21-12)10-5-14(15,16)6-10/h2-4,7,10H,5-6H2,1H3,(H,17,20)
InChIKeyBWEAUCXLOZHYCN-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.13
Rot. Bonds4

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide (PubChem CID 138495571) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide
PubChem CID138495571
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide
SMILESCc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1NC=O
InChIInChI=1S/C14H13F2N3O2/c1-8-2-3-9(4-11(8)17-7-20)12-18-19-13(21-12)10-5-14(15,16)6-10/h2-4,7,10H,5-6H2,1H3,(H,17,20)
InChIKeyBWEAUCXLOZHYCN-UHFFFAOYSA-N
XLogP3.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.13
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-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide?
The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide (CID 138495571) is N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide.
What is the SMILES notation for N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide?
The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide is Cc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1NC=O.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide?
The InChIKey is BWEAUCXLOZHYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-8-2-3-9(4-11(8)17-7-20)12-18-19-13(21-12)10-5-14(15,16)6-10/h2-4,7,10H,5-6H2,1H3,(H,17,20).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide has a molecular weight of 293.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]formamide is sourced from PubChem (CID 138495571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).