N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

C10H12F3N3O4 — CID 146314368

IUPACN-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1coc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N3O2.C2HF3O2/c1-5-4-13-8(10-5)11-7(12)6-2-9-3-6;3-2(4,5)1(6)7/h4,6,9H,2-3H2,1H3,(H,10,11,12);(H,6,7)
InChIKeyNVCXIDPXOPHCPT-UHFFFAOYSA-N
MW295.22 g/mol
LogP0.77
Rot. Bonds2

About N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146314368) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146314368
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC NameN-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1coc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N3O2.C2HF3O2/c1-5-4-13-8(10-5)11-7(12)6-2-9-3-6;3-2(4,5)1(6)7/h4,6,9H,2-3H2,1H3,(H,10,11,12);(H,6,7)
InChIKeyNVCXIDPXOPHCPT-UHFFFAOYSA-N
XLogP0.77
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 146314368) is N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1coc(NC(=O)C2CNC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NVCXIDPXOPHCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.C2HF3O2/c1-5-4-13-8(10-5)11-7(12)6-2-9-3-6;3-2(4,5)1(6)7/h4,6,9H,2-3H2,1H3,(H,10,11,12);(H,6,7).
What are the key properties of N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 295.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-oxazol-2-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146314368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).