N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C8H10F3N3O2 — CID 110833090

IUPACN-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCC(N)CNC(=O)c1conc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-4(12)2-13-7(15)5-3-16-14-6(5)8(9,10)11/h3-4H,2,12H2,1H3,(H,13,15)
InChIKeyJTMBDZLHKSKAFS-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.77
Rot. Bonds3

About N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 110833090) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID110833090
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCC(N)CNC(=O)c1conc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-4(12)2-13-7(15)5-3-16-14-6(5)8(9,10)11/h3-4H,2,12H2,1H3,(H,13,15)
InChIKeyJTMBDZLHKSKAFS-UHFFFAOYSA-N
XLogP0.77
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 110833090) is N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is CC(N)CNC(=O)c1conc1C(F)(F)F.
What is the InChIKey of N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JTMBDZLHKSKAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-4(12)2-13-7(15)5-3-16-14-6(5)8(9,10)11/h3-4H,2,12H2,1H3,(H,13,15).
What are the key properties of N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110833090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).