N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid

C12H17F3N4O4 — CID 68778028

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1noc(NC(=O)N2CCNCC2)c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N4O2.C2HF3O2/c1-7-8(2)13-16-9(7)12-10(15)14-5-3-11-4-6-14;3-2(4,5)1(6)7/h11H,3-6H2,1-2H3,(H,12,15);(H,6,7)
InChIKeyYURSKILEQLECNE-UHFFFAOYSA-N
MW338.29 g/mol
LogP1.36
Rot. Bonds1

About N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid

N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68778028) has the molecular formula C12H17F3N4O4 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68778028
Molecular FormulaC12H17F3N4O4
Molecular Weight338.29 g/mol
Exact Mass338.12
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1noc(NC(=O)N2CCNCC2)c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N4O2.C2HF3O2/c1-7-8(2)13-16-9(7)12-10(15)14-5-3-11-4-6-14;3-2(4,5)1(6)7/h11H,3-6H2,1-2H3,(H,12,15);(H,6,7)
InChIKeyYURSKILEQLECNE-UHFFFAOYSA-N
XLogP1.36
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 68778028) is N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid is Cc1noc(NC(=O)N2CCNCC2)c1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YURSKILEQLECNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2.C2HF3O2/c1-7-8(2)13-16-9(7)12-10(15)14-5-3-11-4-6-14;3-2(4,5)1(6)7/h11H,3-6H2,1-2H3,(H,12,15);(H,6,7).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 338.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68778028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).