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

C18H21F3N4O2 — CID 164536838

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C18H21F3N4O2/c1-17(2,3)14-11-15(27-23-14)22-16(26)25-10-4-9-24(25)13-7-5-12(6-8-13)18(19,20)21/h5-8,11H,4,9-10H2,1-3H3,(H,22,26)
InChIKeyNCCLVCFBMRRKTR-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.65
Rot. Bonds2

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

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide (PubChem CID 164536838) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
PubChem CID164536838
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C18H21F3N4O2/c1-17(2,3)14-11-15(27-23-14)22-16(26)25-10-4-9-24(25)13-7-5-12(6-8-13)18(19,20)21/h5-8,11H,4,9-10H2,1-3H3,(H,22,26)
InChIKeyNCCLVCFBMRRKTR-UHFFFAOYSA-N
XLogP4.65
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide (CID 164536838) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide is CC(C)(C)c1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The InChIKey is NCCLVCFBMRRKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-17(2,3)14-11-15(27-23-14)22-16(26)25-10-4-9-24(25)13-7-5-12(6-8-13)18(19,20)21/h5-8,11H,4,9-10H2,1-3H3,(H,22,26).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide is sourced from PubChem (CID 164536838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).