N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C17H20FN3O3 — CID 91768556

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H20FN3O3/c1-12-15(21-24-20-12)10-16(22)19-11-17(5-7-23-8-6-17)13-3-2-4-14(18)9-13/h2-4,9H,5-8,10-11H2,1H3,(H,19,22)
InChIKeyASULODMTZJBZTG-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.92
Rot. Bonds5

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 91768556) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID91768556
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H20FN3O3/c1-12-15(21-24-20-12)10-16(22)19-11-17(5-7-23-8-6-17)13-3-2-4-14(18)9-13/h2-4,9H,5-8,10-11H2,1H3,(H,19,22)
InChIKeyASULODMTZJBZTG-UHFFFAOYSA-N
XLogP1.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 91768556) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is ASULODMTZJBZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12-15(21-24-20-12)10-16(22)19-11-17(5-7-23-8-6-17)13-3-2-4-14(18)9-13/h2-4,9H,5-8,10-11H2,1H3,(H,19,22).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 333.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 91768556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).