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

C5H4F3N3O3 — CID 90424338

IUPAC[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid
SMILESO=C(O)NCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H4F3N3O3/c6-5(7,8)3-11-10-2(14-3)1-9-4(12)13/h9H,1H2,(H,12,13)
InChIKeyFQCIMZNLYVEOPQ-UHFFFAOYSA-N
MW211.10 g/mol
LogP0.86
Rot. Bonds2

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

[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid (PubChem CID 90424338) has the molecular formula C5H4F3N3O3 and a molecular weight of 211.10 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid
PubChem CID90424338
Molecular FormulaC5H4F3N3O3
Molecular Weight211.10 g/mol
Exact Mass211.02
IUPAC Name[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid
SMILESO=C(O)NCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H4F3N3O3/c6-5(7,8)3-11-10-2(14-3)1-9-4(12)13/h9H,1H2,(H,12,13)
InChIKeyFQCIMZNLYVEOPQ-UHFFFAOYSA-N
XLogP0.86
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid?
The IUPAC name of [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid (CID 90424338) is [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid.
What is the SMILES notation for [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid?
The canonical SMILES for [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid is O=C(O)NCc1nnc(C(F)(F)F)o1.
What is the InChIKey of [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid?
The InChIKey is FQCIMZNLYVEOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O3/c6-5(7,8)3-11-10-2(14-3)1-9-4(12)13/h9H,1H2,(H,12,13).
What are the key properties of [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid?
[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid has a molecular weight of 211.10 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methylcarbamic acid is sourced from PubChem (CID 90424338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).