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

C18H19F2N3O3 — CID 67953390

IUPAC(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2cc(F)cc(F)c2)on1
InChIInChI=1S/C18H19F2N3O3/c1-18(2,3)14-9-15(26-22-14)21-17(25)13-4-5-16(24)23(13)12-7-10(19)6-11(20)8-12/h6-9,13H,4-5H2,1-3H3,(H,21,25)/t13-/m0/s1
InChIKeyOFEYXHYQGQXACL-ZDUSSCGKSA-N
MW363.36 g/mol
LogP3.38
Rot. Bonds3

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

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 67953390) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID67953390
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2cc(F)cc(F)c2)on1
InChIInChI=1S/C18H19F2N3O3/c1-18(2,3)14-9-15(26-22-14)21-17(25)13-4-5-16(24)23(13)12-7-10(19)6-11(20)8-12/h6-9,13H,4-5H2,1-3H3,(H,21,25)/t13-/m0/s1
InChIKeyOFEYXHYQGQXACL-ZDUSSCGKSA-N
XLogP3.38
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 67953390) is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2cc(F)cc(F)c2)on1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OFEYXHYQGQXACL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-18(2,3)14-9-15(26-22-14)21-17(25)13-4-5-16(24)23(13)12-7-10(19)6-11(20)8-12/h6-9,13H,4-5H2,1-3H3,(H,21,25)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67953390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).