5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

C17H15FN4O3 — CID 75442305

IUPAC5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCOc1cccnc1-c1nc(C(=O)NCc2ccc(F)cc2)no1
InChIInChI=1S/C17H15FN4O3/c1-2-24-13-4-3-9-19-14(13)17-21-15(22-25-17)16(23)20-10-11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3,(H,20,23)
InChIKeyJWAOVPDCPNQZLD-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.60
Rot. Bonds6

About 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 75442305) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID75442305
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCOc1cccnc1-c1nc(C(=O)NCc2ccc(F)cc2)no1
InChIInChI=1S/C17H15FN4O3/c1-2-24-13-4-3-9-19-14(13)17-21-15(22-25-17)16(23)20-10-11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3,(H,20,23)
InChIKeyJWAOVPDCPNQZLD-UHFFFAOYSA-N
XLogP2.60
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 75442305) is 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is CCOc1cccnc1-c1nc(C(=O)NCc2ccc(F)cc2)no1.
What is the InChIKey of 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JWAOVPDCPNQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-2-24-13-4-3-9-19-14(13)17-21-15(22-25-17)16(23)20-10-11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3,(H,20,23).
What are the key properties of 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-2-pyridinyl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 75442305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).