[(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C18H25N5O2 — CID 164641326

IUPAC[(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2Cc2noc(C3CCCC3)n2)n(C)n1
InChIInChI=1S/C18H25N5O2/c1-12-10-15(22(2)20-12)18(24)23-9-5-8-14(23)11-16-19-17(25-21-16)13-6-3-4-7-13/h10,13-14H,3-9,11H2,1-2H3/t14-/m1/s1
InChIKeyFXMSFMMIACTOPB-CQSZACIVSA-N
MW343.43 g/mol
LogP2.62
Rot. Bonds4

About [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

[(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 164641326) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID164641326
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2Cc2noc(C3CCCC3)n2)n(C)n1
InChIInChI=1S/C18H25N5O2/c1-12-10-15(22(2)20-12)18(24)23-9-5-8-14(23)11-16-19-17(25-21-16)13-6-3-4-7-13/h10,13-14H,3-9,11H2,1-2H3/t14-/m1/s1
InChIKeyFXMSFMMIACTOPB-CQSZACIVSA-N
XLogP2.62
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 164641326) is [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H]2Cc2noc(C3CCCC3)n2)n(C)n1.
What is the InChIKey of [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is FXMSFMMIACTOPB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-10-15(22(2)20-12)18(24)23-9-5-8-14(23)11-16-19-17(25-21-16)13-6-3-4-7-13/h10,13-14H,3-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 164641326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).