5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide

C14H16FN5O3 — CID 91203205

IUPAC5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC1COCCN1NC(=O)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C14H16FN5O3/c1-9-8-22-7-6-20(9)19-12(21)13-17-18-14(23-13)16-11-5-3-2-4-10(11)15/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,21)
InChIKeyJJQSCHSJQLERQM-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.32
Rot. Bonds4

About 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide

5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 91203205) has the molecular formula C14H16FN5O3 and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID91203205
Molecular FormulaC14H16FN5O3
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC1COCCN1NC(=O)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C14H16FN5O3/c1-9-8-22-7-6-20(9)19-12(21)13-17-18-14(23-13)16-11-5-3-2-4-10(11)15/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,21)
InChIKeyJJQSCHSJQLERQM-UHFFFAOYSA-N
XLogP1.32
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide (CID 91203205) is 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide is CC1COCCN1NC(=O)c1nnc(Nc2ccccc2F)o1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JJQSCHSJQLERQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O3/c1-9-8-22-7-6-20(9)19-12(21)13-17-18-14(23-13)16-11-5-3-2-4-10(11)15/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,21).
What are the key properties of 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 91203205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).