(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide

C17H27N3O3 — CID 67953276

IUPAC(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C2CCCC2)on1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)14-9-15(23-19-14)18-16(22)13-8-12(21)10-20(13)11-6-4-5-7-11/h9,11-13,21H,4-8,10H2,1-3H3,(H,18,22)/t12-,13+/m1/s1
InChIKeyUAVKQQUUPRHVES-OLZOCXBDSA-N
MW321.42 g/mol
LogP2.29
Rot. Bonds3

About (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 67953276) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID67953276
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C2CCCC2)on1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)14-9-15(23-19-14)18-16(22)13-8-12(21)10-20(13)11-6-4-5-7-11/h9,11-13,21H,4-8,10H2,1-3H3,(H,18,22)/t12-,13+/m1/s1
InChIKeyUAVKQQUUPRHVES-OLZOCXBDSA-N
XLogP2.29
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide (CID 67953276) is (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C2CCCC2)on1.
What is the InChIKey of (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UAVKQQUUPRHVES-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)14-9-15(23-19-14)18-16(22)13-8-12(21)10-20(13)11-6-4-5-7-11/h9,11-13,21H,4-8,10H2,1-3H3,(H,18,22)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 67953276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).