4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole

C10H5ClF3NO — CID 57070349

IUPAC4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2nocc2Cl)cc1
InChIInChI=1S/C10H5ClF3NO/c11-8-5-16-15-9(8)6-1-3-7(4-2-6)10(12,13)14/h1-5H
InChIKeyDVCIEPRWICCVFZ-UHFFFAOYSA-N
MW247.60 g/mol
LogP4.01
Rot. Bonds1

About 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole

4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 57070349) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID57070349
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2nocc2Cl)cc1
InChIInChI=1S/C10H5ClF3NO/c11-8-5-16-15-9(8)6-1-3-7(4-2-6)10(12,13)14/h1-5H
InChIKeyDVCIEPRWICCVFZ-UHFFFAOYSA-N
XLogP4.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625763
bis[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanone
CID 174726964
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559
4-[4-(trifluoromethyl)phenyl]oxadiazole
CID 67316276
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506
[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 131866706
1,2,3,4,5-pentachloro-6-[4-(trifluoromethyl)phenyl]benzene
CID 118809445
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395
2-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]acetic acid
CID 105423919
8-chloro-4-methyl-3-[4-(trifluoromethyl)phenyl]cinnoline
CID 171826678
5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline
CID 176528078

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 57070349) is 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole is FC(F)(F)c1ccc(-c2nocc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is DVCIEPRWICCVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-8-5-16-15-9(8)6-1-3-7(4-2-6)10(12,13)14/h1-5H.
What are the key properties of 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 247.60 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 57070349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).