2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid

C12H7F4NO4 — CID 121234464

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid
SMILESCOc1oc(-c2ccc(F)c(C(F)(F)F)c2)nc1C(=O)O
InChIInChI=1S/C12H7F4NO4/c1-20-11-8(10(18)19)17-9(21-11)5-2-3-7(13)6(4-5)12(14,15)16/h2-4H,1H3,(H,18,19)
InChIKeyRNVSMTYJTPOSJC-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.21
Rot. Bonds3

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid

2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid (PubChem CID 121234464) has the molecular formula C12H7F4NO4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid
PubChem CID121234464
Molecular FormulaC12H7F4NO4
Molecular Weight305.18 g/mol
Exact Mass305.03
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid
SMILESCOc1oc(-c2ccc(F)c(C(F)(F)F)c2)nc1C(=O)O
InChIInChI=1S/C12H7F4NO4/c1-20-11-8(10(18)19)17-9(21-11)5-2-3-7(13)6(4-5)12(14,15)16/h2-4H,1H3,(H,18,19)
InChIKeyRNVSMTYJTPOSJC-UHFFFAOYSA-N
XLogP3.21
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid (CID 121234464) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid is COc1oc(-c2ccc(F)c(C(F)(F)F)c2)nc1C(=O)O.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid?
The InChIKey is RNVSMTYJTPOSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO4/c1-20-11-8(10(18)19)17-9(21-11)5-2-3-7(13)6(4-5)12(14,15)16/h2-4H,1H3,(H,18,19).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid has a molecular weight of 305.18 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 121234464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).