(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide

C17H27N3O2 — CID 67953302

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)no1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)14-11-15(19-22-14)18-16(21)13-9-6-10-20(13)12-7-4-5-8-12/h11-13H,4-10H2,1-3H3,(H,18,19,21)/t13-/m0/s1
InChIKeyQYVUDBXZRBTYBA-ZDUSSCGKSA-N
MW305.42 g/mol
LogP3.32
Rot. Bonds3

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide (PubChem CID 67953302) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide
PubChem CID67953302
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)no1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)14-11-15(19-22-14)18-16(21)13-9-6-10-20(13)12-7-4-5-8-12/h11-13H,4-10H2,1-3H3,(H,18,19,21)/t13-/m0/s1
InChIKeyQYVUDBXZRBTYBA-ZDUSSCGKSA-N
XLogP3.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide (CID 67953302) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide?
The InChIKey is QYVUDBXZRBTYBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)14-11-15(19-22-14)18-16(21)13-9-6-10-20(13)12-7-4-5-8-12/h11-13H,4-10H2,1-3H3,(H,18,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67953302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).