4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C13H13FN4O3 — CID 107016102

IUPAC4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1ccc(F)cc1O
InChIInChI=1S/C13H13FN4O3/c14-7-3-4-8(10(19)6-7)11(20)16-13-18-17-12(21-13)9-2-1-5-15-9/h3-4,6,9,15,19H,1-2,5H2,(H,16,18,20)
InChIKeyCTUGAZYWRZGEDF-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.59
Rot. Bonds3

About 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 107016102) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID107016102
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1ccc(F)cc1O
InChIInChI=1S/C13H13FN4O3/c14-7-3-4-8(10(19)6-7)11(20)16-13-18-17-12(21-13)9-2-1-5-15-9/h3-4,6,9,15,19H,1-2,5H2,(H,16,18,20)
InChIKeyCTUGAZYWRZGEDF-UHFFFAOYSA-N
XLogP1.59
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 107016102) is 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(C2CCCN2)o1)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is CTUGAZYWRZGEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c14-7-3-4-8(10(19)6-7)11(20)16-13-18-17-12(21-13)9-2-1-5-15-9/h3-4,6,9,15,19H,1-2,5H2,(H,16,18,20).
What are the key properties of 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 292.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 107016102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).