3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H15FN4O3 — CID 51100358

IUPAC3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1noc(CCNC(=O)C2CC(c3cccc(F)c3)=NO2)n1
InChIInChI=1S/C15H15FN4O3/c1-9-18-14(23-19-9)5-6-17-15(21)13-8-12(20-22-13)10-3-2-4-11(16)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,17,21)
InChIKeyPFQKWMXINQDOPM-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.37
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51100358) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51100358
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1noc(CCNC(=O)C2CC(c3cccc(F)c3)=NO2)n1
InChIInChI=1S/C15H15FN4O3/c1-9-18-14(23-19-9)5-6-17-15(21)13-8-12(20-22-13)10-3-2-4-11(16)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,17,21)
InChIKeyPFQKWMXINQDOPM-UHFFFAOYSA-N
XLogP1.37
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51100358) is 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1noc(CCNC(=O)C2CC(c3cccc(F)c3)=NO2)n1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is PFQKWMXINQDOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-9-18-14(23-19-9)5-6-17-15(21)13-8-12(20-22-13)10-3-2-4-11(16)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,17,21).
What are the key properties of 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51100358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).