N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide

C17H15FN4O2 — CID 134793131

IUPACN-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN1c1nc2ncccc2o1
InChIInChI=1S/C17H15FN4O2/c18-11-5-7-12(8-6-11)20-16(23)13-3-2-10-22(13)17-21-15-14(24-17)4-1-9-19-15/h1,4-9,13H,2-3,10H2,(H,20,23)
InChIKeyCRSYOPIDONIBPB-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.97
Rot. Bonds3

About N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide

N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 134793131) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
PubChem CID134793131
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN1c1nc2ncccc2o1
InChIInChI=1S/C17H15FN4O2/c18-11-5-7-12(8-6-11)20-16(23)13-3-2-10-22(13)17-21-15-14(24-17)4-1-9-19-15/h1,4-9,13H,2-3,10H2,(H,20,23)
InChIKeyCRSYOPIDONIBPB-UHFFFAOYSA-N
XLogP2.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide (CID 134793131) is N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)cc1)C1CCCN1c1nc2ncccc2o1.
What is the InChIKey of N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CRSYOPIDONIBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-11-5-7-12(8-6-11)20-16(23)13-3-2-10-22(13)17-21-15-14(24-17)4-1-9-19-15/h1,4-9,13H,2-3,10H2,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134793131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).