4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol

C10H5ClF3NO2 — CID 763515

IUPAC4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(C(F)(F)F)on1
InChIInChI=1S/C10H5ClF3NO2/c11-5-1-2-8(16)6(3-5)7-4-9(17-15-7)10(12,13)14/h1-4,16H
InChIKeyKEMDXDPWPFAJBO-UHFFFAOYSA-N
MW263.60 g/mol
LogP3.72
Rot. Bonds1

About 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol

4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol (PubChem CID 763515) has the molecular formula C10H5ClF3NO2 and a molecular weight of 263.60 g/mol. Its IUPAC name is 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol
PubChem CID763515
Molecular FormulaC10H5ClF3NO2
Molecular Weight263.60 g/mol
Exact Mass263.00
IUPAC Name4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(C(F)(F)F)on1
InChIInChI=1S/C10H5ClF3NO2/c11-5-1-2-8(16)6(3-5)7-4-9(17-15-7)10(12,13)14/h1-4,16H
InChIKeyKEMDXDPWPFAJBO-UHFFFAOYSA-N
XLogP3.72
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.60
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol (CID 763515) is 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol is Oc1ccc(Cl)cc1-c1cc(C(F)(F)F)on1.
What is the InChIKey of 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol?
The InChIKey is KEMDXDPWPFAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO2/c11-5-1-2-8(16)6(3-5)7-4-9(17-15-7)10(12,13)14/h1-4,16H.
What are the key properties of 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol?
4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol has a molecular weight of 263.60 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 763515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).