1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide

C15H14F2N4O3 — CID 56724448

IUPAC1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)o1
InChIInChI=1S/C15H14F2N4O3/c1-8-19-20-13(24-8)5-18-14(22)10-6-21(7-10)15(23)9-2-3-11(16)12(17)4-9/h2-4,10H,5-7H2,1H3,(H,18,22)
InChIKeyFOSNXFRRKXSJEU-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.04
Rot. Bonds4

About 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide

1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide (PubChem CID 56724448) has the molecular formula C15H14F2N4O3 and a molecular weight of 336.30 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide
PubChem CID56724448
Molecular FormulaC15H14F2N4O3
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC Name1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)o1
InChIInChI=1S/C15H14F2N4O3/c1-8-19-20-13(24-8)5-18-14(22)10-6-21(7-10)15(23)9-2-3-11(16)12(17)4-9/h2-4,10H,5-7H2,1H3,(H,18,22)
InChIKeyFOSNXFRRKXSJEU-UHFFFAOYSA-N
XLogP1.04
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide (CID 56724448) is 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide is Cc1nnc(CNC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)o1.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide?
The InChIKey is FOSNXFRRKXSJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3/c1-8-19-20-13(24-8)5-18-14(22)10-6-21(7-10)15(23)9-2-3-11(16)12(17)4-9/h2-4,10H,5-7H2,1H3,(H,18,22).
What are the key properties of 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide?
1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide has a molecular weight of 336.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorobenzoyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 56724448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).