5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid

C14H10F5NO4 — CID 70870821

IUPAC5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESCCC(F)(F)c1oc(-c2ccccc2OC(F)(F)F)nc1C(=O)O
InChIInChI=1S/C14H10F5NO4/c1-2-13(15,16)10-9(12(21)22)20-11(23-10)7-5-3-4-6-8(7)24-14(17,18)19/h3-6H,2H2,1H3,(H,21,22)
InChIKeyCLOQAEUTPZSICJ-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.44
Rot. Bonds5

About 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid

5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 70870821) has the molecular formula C14H10F5NO4 and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
PubChem CID70870821
Molecular FormulaC14H10F5NO4
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESCCC(F)(F)c1oc(-c2ccccc2OC(F)(F)F)nc1C(=O)O
InChIInChI=1S/C14H10F5NO4/c1-2-13(15,16)10-9(12(21)22)20-11(23-10)7-5-3-4-6-8(7)24-14(17,18)19/h3-6H,2H2,1H3,(H,21,22)
InChIKeyCLOQAEUTPZSICJ-UHFFFAOYSA-N
XLogP4.44
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole
CID 142140650
2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44570875
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089211
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 133089281
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
tert-butyl (4S)-2-imino-4-[[5-[[2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]pyrimidin-2-yl]amino]pentanoate
CID 174705402
5-[2-(trifluoromethoxy)phenyl]-6-oxa-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 156702302
4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 114372930

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid (CID 70870821) is 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid is CCC(F)(F)c1oc(-c2ccccc2OC(F)(F)F)nc1C(=O)O.
What is the InChIKey of 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is CLOQAEUTPZSICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO4/c1-2-13(15,16)10-9(12(21)22)20-11(23-10)7-5-3-4-6-8(7)24-14(17,18)19/h3-6H,2H2,1H3,(H,21,22).
What are the key properties of 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid?
5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 351.23 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70870821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).