(3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide

C15H13FN4O2 — CID 129301747

IUPAC(3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide
SMILESN#CN1CC[C@](F)(C(=O)Nc2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C15H13FN4O2/c16-15(6-7-20(9-15)10-17)14(21)18-13-8-12(19-22-13)11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H,18,21)/t15-/m1/s1
InChIKeyGHVXROVZZIREJP-OAHLLOKOSA-N
MW300.29 g/mol
LogP2.18
Rot. Bonds3

About (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide

(3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 129301747) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID129301747
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name(3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide
SMILESN#CN1CC[C@](F)(C(=O)Nc2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C15H13FN4O2/c16-15(6-7-20(9-15)10-17)14(21)18-13-8-12(19-22-13)11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H,18,21)/t15-/m1/s1
InChIKeyGHVXROVZZIREJP-OAHLLOKOSA-N
XLogP2.18
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide (CID 129301747) is (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide is N#CN1CC[C@](F)(C(=O)Nc2cc(-c3ccccc3)no2)C1.
What is the InChIKey of (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is GHVXROVZZIREJP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-15(6-7-20(9-15)10-17)14(21)18-13-8-12(19-22-13)11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide?
(3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyano-3-fluoro-N-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 129301747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).