N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide

C17H26F2N4O2 — CID 164536805

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN2C2CCC(F)(F)CC2)no1
InChIInChI=1S/C17H26F2N4O2/c1-16(2,3)13-11-14(21-25-13)20-15(24)23-10-4-9-22(23)12-5-7-17(18,19)8-6-12/h11-12H,4-10H2,1-3H3,(H,20,21,24)
InChIKeyVMZGXAZLWNSAAG-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.00
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide (PubChem CID 164536805) has the molecular formula C17H26F2N4O2 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide
PubChem CID164536805
Molecular FormulaC17H26F2N4O2
Molecular Weight356.42 g/mol
Exact Mass356.20
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN2C2CCC(F)(F)CC2)no1
InChIInChI=1S/C17H26F2N4O2/c1-16(2,3)13-11-14(21-25-13)20-15(24)23-10-4-9-22(23)12-5-7-17(18,19)8-6-12/h11-12H,4-10H2,1-3H3,(H,20,21,24)
InChIKeyVMZGXAZLWNSAAG-UHFFFAOYSA-N
XLogP4.00
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)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-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide (CID 164536805) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide is CC(C)(C)c1cc(NC(=O)N2CCCN2C2CCC(F)(F)CC2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide?
The InChIKey is VMZGXAZLWNSAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O2/c1-16(2,3)13-11-14(21-25-13)20-15(24)23-10-4-9-22(23)12-5-7-17(18,19)8-6-12/h11-12H,4-10H2,1-3H3,(H,20,21,24).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4,4-difluorocyclohexyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 164536805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).