N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide

C19H18FN5O3 — CID 136538964

IUPACN-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCc1noc(-c2cccc(F)c2)n1)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C19H18FN5O3/c20-15-3-1-2-13(8-15)19-23-17(24-28-19)12-22-18(26)14-9-16(11-21-10-14)25-4-6-27-7-5-25/h1-3,8-11H,4-7,12H2,(H,22,26)
InChIKeyGMRMYCIHFJFTEU-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.04
Rot. Bonds5

About N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide

N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 136538964) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide
PubChem CID136538964
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC NameN-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCc1noc(-c2cccc(F)c2)n1)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C19H18FN5O3/c20-15-3-1-2-13(8-15)19-23-17(24-28-19)12-22-18(26)14-9-16(11-21-10-14)25-4-6-27-7-5-25/h1-3,8-11H,4-7,12H2,(H,22,26)
InChIKeyGMRMYCIHFJFTEU-UHFFFAOYSA-N
XLogP2.04
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide (CID 136538964) is N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide is O=C(NCc1noc(-c2cccc(F)c2)n1)c1cncc(N2CCOCC2)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is GMRMYCIHFJFTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c20-15-3-1-2-13(8-15)19-23-17(24-28-19)12-22-18(26)14-9-16(11-21-10-14)25-4-6-27-7-5-25/h1-3,8-11H,4-7,12H2,(H,22,26).
What are the key properties of N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide?
N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 136538964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).