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

C17H20FN3O3 — CID 127843561

IUPACN-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(CC(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)o1
InChIInChI=1S/C17H20FN3O3/c1-11-19-20-16(24-11)10-17(22)21(2)14-7-8-23-15(9-14)12-3-5-13(18)6-4-12/h3-6,14-15H,7-10H2,1-2H3
InChIKeyUXGBPNQZGKUWSR-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.44
Rot. Bonds4

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

N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 127843561) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID127843561
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(CC(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)o1
InChIInChI=1S/C17H20FN3O3/c1-11-19-20-16(24-11)10-17(22)21(2)14-7-8-23-15(9-14)12-3-5-13(18)6-4-12/h3-6,14-15H,7-10H2,1-2H3
InChIKeyUXGBPNQZGKUWSR-UHFFFAOYSA-N
XLogP2.44
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 127843561) is N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(CC(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)o1.
What is the InChIKey of N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is UXGBPNQZGKUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-19-20-16(24-11)10-17(22)21(2)14-7-8-23-15(9-14)12-3-5-13(18)6-4-12/h3-6,14-15H,7-10H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)oxan-4-yl]-N-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 127843561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).