N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide

C14H15ClFN5O2 — CID 128999114

IUPACN-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1(c2noc(C)n2)CCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C14H15ClFN5O2/c1-8(22)19-14(13-18-9(2)23-20-13)3-4-21(7-14)12-11(16)5-10(15)6-17-12/h5-6H,3-4,7H2,1-2H3,(H,19,22)
InChIKeyHILYCHKLFNZKQS-UHFFFAOYSA-N
MW339.76 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide

N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 128999114) has the molecular formula C14H15ClFN5O2 and a molecular weight of 339.76 g/mol. Its IUPAC name is N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID128999114
Molecular FormulaC14H15ClFN5O2
Molecular Weight339.76 g/mol
Exact Mass339.09
IUPAC NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1(c2noc(C)n2)CCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C14H15ClFN5O2/c1-8(22)19-14(13-18-9(2)23-20-13)3-4-21(7-14)12-11(16)5-10(15)6-17-12/h5-6H,3-4,7H2,1-2H3,(H,19,22)
InChIKeyHILYCHKLFNZKQS-UHFFFAOYSA-N
XLogP1.81
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (CID 128999114) is N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1(c2noc(C)n2)CCN(c2ncc(Cl)cc2F)C1.
What is the InChIKey of N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is HILYCHKLFNZKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5O2/c1-8(22)19-14(13-18-9(2)23-20-13)3-4-21(7-14)12-11(16)5-10(15)6-17-12/h5-6H,3-4,7H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 339.76 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-3-fluoro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 128999114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).