[5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid

C5H3F3N2O3 — CID 90286256

IUPAC[5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(C(F)(F)F)o1
InChIInChI=1S/C5H3F3N2O3/c6-5(7,8)2-1-9-3(13-2)10-4(11)12/h1H,(H,9,10)(H,11,12)
InChIKeyJMWXTRYTLMVXIR-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.78
Rot. Bonds1

About [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid

[5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid (PubChem CID 90286256) has the molecular formula C5H3F3N2O3 and a molecular weight of 196.08 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid
PubChem CID90286256
Molecular FormulaC5H3F3N2O3
Molecular Weight196.08 g/mol
Exact Mass196.01
IUPAC Name[5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(C(F)(F)F)o1
InChIInChI=1S/C5H3F3N2O3/c6-5(7,8)2-1-9-3(13-2)10-4(11)12/h1H,(H,9,10)(H,11,12)
InChIKeyJMWXTRYTLMVXIR-UHFFFAOYSA-N
XLogP1.78
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid?
The IUPAC name of [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid (CID 90286256) is [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid?
The canonical SMILES for [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid is O=C(O)Nc1ncc(C(F)(F)F)o1.
What is the InChIKey of [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid?
The InChIKey is JMWXTRYTLMVXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O3/c6-5(7,8)2-1-9-3(13-2)10-4(11)12/h1H,(H,9,10)(H,11,12).
What are the key properties of [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid?
[5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid has a molecular weight of 196.08 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid is sourced from PubChem (CID 90286256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).