N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide

C19H21F3N4O3 — CID 164536740

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2cc(C(C)(C)C)on2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N4O3/c1-18(2,3)14-10-15(24-29-14)23-17(28)13-9-16(27)25(4)26(13)12-7-5-11(6-8-12)19(20,21)22/h5-8,10,13H,9H2,1-4H3,(H,23,24,28)
InChIKeyGSIXSCUUJZSZDJ-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.58
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide (PubChem CID 164536740) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
PubChem CID164536740
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2cc(C(C)(C)C)on2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N4O3/c1-18(2,3)14-10-15(24-29-14)23-17(28)13-9-16(27)25(4)26(13)12-7-5-11(6-8-12)19(20,21)22/h5-8,10,13H,9H2,1-4H3,(H,23,24,28)
InChIKeyGSIXSCUUJZSZDJ-UHFFFAOYSA-N
XLogP3.58
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide (CID 164536740) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide is CN1C(=O)CC(C(=O)Nc2cc(C(C)(C)C)on2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide?
The InChIKey is GSIXSCUUJZSZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-18(2,3)14-10-15(24-29-14)23-17(28)13-9-16(27)25(4)26(13)12-7-5-11(6-8-12)19(20,21)22/h5-8,10,13H,9H2,1-4H3,(H,23,24,28).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 164536740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).