N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C14H21F3N4O2 — CID 75435572

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCN(CC(F)(F)F)C(C)C2)oc1C
InChIInChI=1S/C14H21F3N4O2/c1-9-7-20(4-5-21(9)8-14(15,16)17)13(22)18-6-12-19-10(2)11(3)23-12/h9H,4-8H2,1-3H3,(H,18,22)
InChIKeyFIHCXCWJLSUDST-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.07
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 75435572) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID75435572
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCN(CC(F)(F)F)C(C)C2)oc1C
InChIInChI=1S/C14H21F3N4O2/c1-9-7-20(4-5-21(9)8-14(15,16)17)13(22)18-6-12-19-10(2)11(3)23-12/h9H,4-8H2,1-3H3,(H,18,22)
InChIKeyFIHCXCWJLSUDST-UHFFFAOYSA-N
XLogP2.07
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 75435572) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is Cc1nc(CNC(=O)N2CCN(CC(F)(F)F)C(C)C2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is FIHCXCWJLSUDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-9-7-20(4-5-21(9)8-14(15,16)17)13(22)18-6-12-19-10(2)11(3)23-12/h9H,4-8H2,1-3H3,(H,18,22).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 75435572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).