3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid

C14H12F2N2O4 — CID 115112637

IUPAC3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c(F)cc2N2CCOCC2)no1
InChIInChI=1S/C14H12F2N2O4/c15-9-5-8(11-7-13(14(19)20)22-17-11)12(6-10(9)16)18-1-3-21-4-2-18/h5-7H,1-4H2,(H,19,20)
InChIKeyIJHFHJDICCLAOH-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.15
Rot. Bonds3

About 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid

3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 115112637) has the molecular formula C14H12F2N2O4 and a molecular weight of 310.26 g/mol. Its IUPAC name is 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID115112637
Molecular FormulaC14H12F2N2O4
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Name3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c(F)cc2N2CCOCC2)no1
InChIInChI=1S/C14H12F2N2O4/c15-9-5-8(11-7-13(14(19)20)22-17-11)12(6-10(9)16)18-1-3-21-4-2-18/h5-7H,1-4H2,(H,19,20)
InChIKeyIJHFHJDICCLAOH-UHFFFAOYSA-N
XLogP2.15
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117493548
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(3,5-difluoro-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349988
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991106
3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine
CID 115112379
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
3-[2-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435490
3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482846
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 142703560
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid (CID 115112637) is 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(F)c(F)cc2N2CCOCC2)no1.
What is the InChIKey of 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is IJHFHJDICCLAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4/c15-9-5-8(11-7-13(14(19)20)22-17-11)12(6-10(9)16)18-1-3-21-4-2-18/h5-7H,1-4H2,(H,19,20).
What are the key properties of 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 310.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 115112637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).