(2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide

C21H26ClFN4O3 — CID 97336910

IUPAC(2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1noc(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C21H26ClFN4O3/c1-11(2)20-25-17(30-26-20)7-8-24-21(29)14-10-18(28)27(12(3)4)19(14)13-5-6-15(22)16(23)9-13/h5-6,9,11-12,14,19H,7-8,10H2,1-4H3,(H,24,29)/t14-,19+/m1/s1
InChIKeyVSDPUOHJGSPKHG-KUHUBIRLSA-N
MW436.92 g/mol
LogP3.64
Rot. Bonds7

About (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide

(2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 97336910) has the molecular formula C21H26ClFN4O3 and a molecular weight of 436.92 g/mol. Its IUPAC name is (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID97336910
Molecular FormulaC21H26ClFN4O3
Molecular Weight436.92 g/mol
Exact Mass436.17
IUPAC Name(2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1noc(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C21H26ClFN4O3/c1-11(2)20-25-17(30-26-20)7-8-24-21(29)14-10-18(28)27(12(3)4)19(14)13-5-6-15(22)16(23)9-13/h5-6,9,11-12,14,19H,7-8,10H2,1-4H3,(H,24,29)/t14-,19+/m1/s1
InChIKeyVSDPUOHJGSPKHG-KUHUBIRLSA-N
XLogP3.64
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide (CID 97336910) is (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide is CC(C)c1noc(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VSDPUOHJGSPKHG-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H26ClFN4O3/c1-11(2)20-25-17(30-26-20)7-8-24-21(29)14-10-18(28)27(12(3)4)19(14)13-5-6-15(22)16(23)9-13/h5-6,9,11-12,14,19H,7-8,10H2,1-4H3,(H,24,29)/t14-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
(2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97336910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).