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

C18H29N3O3 — CID 67953277

IUPAC(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C2CCCCC2)on1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)15-10-16(24-20-15)19-17(23)14-9-13(22)11-21(14)12-7-5-4-6-8-12/h10,12-14,22H,4-9,11H2,1-3H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyWGWKTQCAJSRICS-KGLIPLIRSA-N
MW335.45 g/mol
LogP2.68
Rot. Bonds3

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

(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 67953277) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID67953277
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C2CCCCC2)on1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)15-10-16(24-20-15)19-17(23)14-9-13(22)11-21(14)12-7-5-4-6-8-12/h10,12-14,22H,4-9,11H2,1-3H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyWGWKTQCAJSRICS-KGLIPLIRSA-N
XLogP2.68
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.68
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-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide (CID 67953277) is (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C2CCCCC2)on1.
What is the InChIKey of (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is WGWKTQCAJSRICS-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)15-10-16(24-20-15)19-17(23)14-9-13(22)11-21(14)12-7-5-4-6-8-12/h10,12-14,22H,4-9,11H2,1-3H3,(H,19,23)/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.68, 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-cyclohexyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 67953277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).