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

C17H19FN4O3 — CID 77295214

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCC(=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)
InChIKeyLCUWBULPLRCAJF-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.64
Rot. Bonds3

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

N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 77295214) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID77295214
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCC(=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)
InChIKeyLCUWBULPLRCAJF-UHFFFAOYSA-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 N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (CID 77295214) is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 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)C2CCC(=O)N2c2ccc(F)cn2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LCUWBULPLRCAJF-UHFFFAOYSA-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).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?
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 N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 77295214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).