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

C17H19FN4O3 — CID 67456261

IUPAC(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(F)cn2)on1
InChIInChI=1S/C17H19FN4O3/c1-17(2,3)12-8-14(25-21-12)20-16(24)11-5-7-15(23)22(11)13-6-4-10(18)9-19-13/h4,6,8-9,11H,5,7H2,1-3H3,(H,20,24)/t11-/m0/s1
InChIKeyLCUWBULPLRCAJF-NSHDSACASA-N
MW346.36 g/mol
LogP2.64
Rot. Bonds3

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

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 67456261) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID67456261
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(F)cn2)on1
InChIInChI=1S/C17H19FN4O3/c1-17(2,3)12-8-14(25-21-12)20-16(24)11-5-7-15(23)22(11)13-6-4-10(18)9-19-13/h4,6,8-9,11H,5,7H2,1-3H3,(H,20,24)/t11-/m0/s1
InChIKeyLCUWBULPLRCAJF-NSHDSACASA-N
XLogP2.64
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.64
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-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (CID 67456261) is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(F)cn2)on1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LCUWBULPLRCAJF-NSHDSACASA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-17(2,3)12-8-14(25-21-12)20-16(24)11-5-7-15(23)22(11)13-6-4-10(18)9-19-13/h4,6,8-9,11H,5,7H2,1-3H3,(H,20,24)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 2.64, 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-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67456261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).