(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide

C19H20N4O3 — CID 46843358

IUPAC(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C#N)cc2)on1
InChIInChI=1S/C19H20N4O3/c1-19(2,3)15-10-16(26-22-15)21-18(25)14-8-9-17(24)23(14)13-6-4-12(11-20)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyQCIASDDHOHRWGG-AWEZNQCLSA-N
MW352.39 g/mol
LogP2.98
Rot. Bonds3

About (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 46843358) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID46843358
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C#N)cc2)on1
InChIInChI=1S/C19H20N4O3/c1-19(2,3)15-10-16(26-22-15)21-18(25)14-8-9-17(24)23(14)13-6-4-12(11-20)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyQCIASDDHOHRWGG-AWEZNQCLSA-N
XLogP2.98
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide (CID 46843358) is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C#N)cc2)on1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QCIASDDHOHRWGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-19(2,3)15-10-16(26-22-15)21-18(25)14-8-9-17(24)23(14)13-6-4-12(11-20)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46843358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).