1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid

C6H6F3N3O3 — CID 122483712

IUPAC1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C6H6F3N3O3/c1-2(10-5(13)14)3-11-12-4(15-3)6(7,8)9/h2,10H,1H3,(H,13,14)
InChIKeyUIAHUZPEJHEKMP-UHFFFAOYSA-N
MW225.13 g/mol
LogP1.42
Rot. Bonds2

About 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid

1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid (PubChem CID 122483712) has the molecular formula C6H6F3N3O3 and a molecular weight of 225.13 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid
PubChem CID122483712
Molecular FormulaC6H6F3N3O3
Molecular Weight225.13 g/mol
Exact Mass225.04
IUPAC Name1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C6H6F3N3O3/c1-2(10-5(13)14)3-11-12-4(15-3)6(7,8)9/h2,10H,1H3,(H,13,14)
InChIKeyUIAHUZPEJHEKMP-UHFFFAOYSA-N
XLogP1.42
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid (CID 122483712) is 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid is CC(NC(=O)O)c1nnc(C(F)(F)F)o1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid?
The InChIKey is UIAHUZPEJHEKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O3/c1-2(10-5(13)14)3-11-12-4(15-3)6(7,8)9/h2,10H,1H3,(H,13,14).
What are the key properties of 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid?
1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid has a molecular weight of 225.13 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 122483712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).