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

C8H7F3N2O3 — CID 67984181

IUPAC[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid
SMILESO=C(O)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)4-3-5(13-16-4)12-6(14)15/h3H,1-2H2,(H,12,13)(H,14,15)
InChIKeyFLESVDHHFDDDQF-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.36
Rot. Bonds2

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

[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid (PubChem CID 67984181) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid
PubChem CID67984181
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid
SMILESO=C(O)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)4-3-5(13-16-4)12-6(14)15/h3H,1-2H2,(H,12,13)(H,14,15)
InChIKeyFLESVDHHFDDDQF-UHFFFAOYSA-N
XLogP2.36
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid?
The IUPAC name of [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid (CID 67984181) is [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid.
What is the SMILES notation for [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid?
The canonical SMILES for [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid is O=C(O)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid?
The InChIKey is FLESVDHHFDDDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)4-3-5(13-16-4)12-6(14)15/h3H,1-2H2,(H,12,13)(H,14,15).
What are the key properties of [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid?
[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid has a molecular weight of 236.15 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid is sourced from PubChem (CID 67984181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).