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

C14H21F3N4O2 — CID 71924354

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCCc1cc(CNC(=O)N2CCN(C(C)C(F)(F)F)CC2)on1
InChIInChI=1S/C14H21F3N4O2/c1-3-11-8-12(23-19-11)9-18-13(22)21-6-4-20(5-7-21)10(2)14(15,16)17/h8,10H,3-7,9H2,1-2H3,(H,18,22)
InChIKeyMVMFOGVBZPZOIN-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.02
Rot. Bonds4

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

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (PubChem CID 71924354) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
PubChem CID71924354
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCCc1cc(CNC(=O)N2CCN(C(C)C(F)(F)F)CC2)on1
InChIInChI=1S/C14H21F3N4O2/c1-3-11-8-12(23-19-11)9-18-13(22)21-6-4-20(5-7-21)10(2)14(15,16)17/h8,10H,3-7,9H2,1-2H3,(H,18,22)
InChIKeyMVMFOGVBZPZOIN-UHFFFAOYSA-N
XLogP2.02
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)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-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (CID 71924354) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is CCc1cc(CNC(=O)N2CCN(C(C)C(F)(F)F)CC2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The InChIKey is MVMFOGVBZPZOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-3-11-8-12(23-19-11)9-18-13(22)21-6-4-20(5-7-21)10(2)14(15,16)17/h8,10H,3-7,9H2,1-2H3,(H,18,22).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71924354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).