N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide

C17H20F3N5O3 — CID 164536728

IUPACN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide
SMILESCC(C)(CO)c1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cn2)on1
InChIInChI=1S/C17H20F3N5O3/c1-16(2,10-26)12-8-14(28-23-12)22-15(27)25-7-3-6-24(25)13-5-4-11(9-21-13)17(18,19)20/h4-5,8-9,26H,3,6-7,10H2,1-2H3,(H,22,27)
InChIKeyMXIAVYUHSCZYFE-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.02
Rot. Bonds4

About N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide

N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide (PubChem CID 164536728) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide
PubChem CID164536728
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide
SMILESCC(C)(CO)c1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cn2)on1
InChIInChI=1S/C17H20F3N5O3/c1-16(2,10-26)12-8-14(28-23-12)22-15(27)25-7-3-6-24(25)13-5-4-11(9-21-13)17(18,19)20/h4-5,8-9,26H,3,6-7,10H2,1-2H3,(H,22,27)
InChIKeyMXIAVYUHSCZYFE-UHFFFAOYSA-N
XLogP3.02
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]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-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide?
The IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide (CID 164536728) is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide?
The canonical SMILES for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide is CC(C)(CO)c1cc(NC(=O)N2CCCN2c2ccc(C(F)(F)F)cn2)on1.
What is the InChIKey of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide?
The InChIKey is MXIAVYUHSCZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3/c1-16(2,10-26)12-8-14(28-23-12)22-15(27)25-7-3-6-24(25)13-5-4-11(9-21-13)17(18,19)20/h4-5,8-9,26H,3,6-7,10H2,1-2H3,(H,22,27).
What are the key properties of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide?
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide has a molecular weight of 399.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide is sourced from PubChem (CID 164536728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).