(2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide

C15H22FN3O3 — CID 120965460

IUPAC(2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cnc(CCC(=O)N2C[C@H](F)C[C@H]2C(N)=O)o1
InChIInChI=1S/C15H22FN3O3/c1-15(2,3)11-7-18-12(22-11)4-5-13(20)19-8-9(16)6-10(19)14(17)21/h7,9-10H,4-6,8H2,1-3H3,(H2,17,21)/t9-,10+/m1/s1
InChIKeyZFMZQOPZXRORTB-ZJUUUORDSA-N
MW311.36 g/mol
LogP1.33
Rot. Bonds4

About (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120965460) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID120965460
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC Name(2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cnc(CCC(=O)N2C[C@H](F)C[C@H]2C(N)=O)o1
InChIInChI=1S/C15H22FN3O3/c1-15(2,3)11-7-18-12(22-11)4-5-13(20)19-8-9(16)6-10(19)14(17)21/h7,9-10H,4-6,8H2,1-3H3,(H2,17,21)/t9-,10+/m1/s1
InChIKeyZFMZQOPZXRORTB-ZJUUUORDSA-N
XLogP1.33
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-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 (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide (CID 120965460) is (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide is CC(C)(C)c1cnc(CCC(=O)N2C[C@H](F)C[C@H]2C(N)=O)o1.
What is the InChIKey of (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is ZFMZQOPZXRORTB-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-15(2,3)11-7-18-12(22-11)4-5-13(20)19-8-9(16)6-10(19)14(17)21/h7,9-10H,4-6,8H2,1-3H3,(H2,17,21)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120965460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).