1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C21H27N3O2 — CID 110129865

IUPAC1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C2CCCC2)C1
InChIInChI=1S/C21H27N3O2/c1-22-20(25)21(11-12-24(15-21)17-9-5-6-10-17)14-18-13-19(23-26-18)16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14-15H2,1H3,(H,22,25)
InChIKeyBVGYMGMKUFTYOA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.26
Rot. Bonds5

About 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110129865) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID110129865
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C2CCCC2)C1
InChIInChI=1S/C21H27N3O2/c1-22-20(25)21(11-12-24(15-21)17-9-5-6-10-17)14-18-13-19(23-26-18)16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14-15H2,1H3,(H,22,25)
InChIKeyBVGYMGMKUFTYOA-UHFFFAOYSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 110129865) is 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is CNC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is BVGYMGMKUFTYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-22-20(25)21(11-12-24(15-21)17-9-5-6-10-17)14-18-13-19(23-26-18)16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110129865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).