5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

C14H14FN3O3 — CID 127266585

IUPAC5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O3/c15-10-5-3-9(4-6-10)14-17-12(18-21-14)13(19)16-8-11-2-1-7-20-11/h3-6,11H,1-2,7-8H2,(H,16,19)
InChIKeyJXESUNPLWSRGMJ-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.78
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 127266585) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID127266585
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O3/c15-10-5-3-9(4-6-10)14-17-12(18-21-14)13(19)16-8-11-2-1-7-20-11/h3-6,11H,1-2,7-8H2,(H,16,19)
InChIKeyJXESUNPLWSRGMJ-UHFFFAOYSA-N
XLogP1.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97429668
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 100749423
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854999
N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 95094168
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (CID 127266585) is 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is O=C(NCC1CCCO1)c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JXESUNPLWSRGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-10-5-3-9(4-6-10)14-17-12(18-21-14)13(19)16-8-11-2-1-7-20-11/h3-6,11H,1-2,7-8H2,(H,16,19).
What are the key properties of 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 127266585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).