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

C18H20N4O4 — CID 89054318

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(N=O)cc2)no1
InChIInChI=1S/C18H20N4O4/c1-18(2,3)14-10-15(21-26-14)19-17(24)13-8-9-16(23)22(13)12-6-4-11(20-25)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,19,21,24)/t13-/m0/s1
InChIKeyGBXNZEFFIJJJTG-ZDUSSCGKSA-N
MW356.38 g/mol
LogP3.50
Rot. Bonds4

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

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 89054318) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID89054318
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(N=O)cc2)no1
InChIInChI=1S/C18H20N4O4/c1-18(2,3)14-10-15(21-26-14)19-17(24)13-8-9-16(23)22(13)12-6-4-11(20-25)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,19,21,24)/t13-/m0/s1
InChIKeyGBXNZEFFIJJJTG-ZDUSSCGKSA-N
XLogP3.50
TPSA104.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide (CID 89054318) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(N=O)cc2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GBXNZEFFIJJJTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-18(2,3)14-10-15(21-26-14)19-17(24)13-8-9-16(23)22(13)12-6-4-11(20-25)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,19,21,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 89054318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).