4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide

C14H14FN3O3 — CID 156856560

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide
SMILESNC(=O)C1(c2nc(-c3ccc(F)cc3)no2)CCOCC1
InChIInChI=1S/C14H14FN3O3/c15-10-3-1-9(2-4-10)11-17-13(21-18-11)14(12(16)19)5-7-20-8-6-14/h1-4H,5-8H2,(H2,16,19)
InChIKeyBDPZZMIBPIIRER-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.41
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide (PubChem CID 156856560) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide
PubChem CID156856560
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide
SMILESNC(=O)C1(c2nc(-c3ccc(F)cc3)no2)CCOCC1
InChIInChI=1S/C14H14FN3O3/c15-10-3-1-9(2-4-10)11-17-13(21-18-11)14(12(16)19)5-7-20-8-6-14/h1-4H,5-8H2,(H2,16,19)
InChIKeyBDPZZMIBPIIRER-UHFFFAOYSA-N
XLogP1.41
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide (CID 156856560) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide is NC(=O)C1(c2nc(-c3ccc(F)cc3)no2)CCOCC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide?
The InChIKey is BDPZZMIBPIIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-10-3-1-9(2-4-10)11-17-13(21-18-11)14(12(16)19)5-7-20-8-6-14/h1-4H,5-8H2,(H2,16,19).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxane-4-carboxamide is sourced from PubChem (CID 156856560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).