2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid

C21H19FN2O4 — CID 142703560

IUPAC2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid
SMILESCc1cc(-c2cc(-c3ccc(C(=O)O)c(F)c3)no2)ccc1N1CCOCC1
InChIInChI=1S/C21H19FN2O4/c1-13-10-15(3-5-19(13)24-6-8-27-9-7-24)20-12-18(23-28-20)14-2-4-16(21(25)26)17(22)11-14/h2-5,10-12H,6-9H2,1H3,(H,25,26)
InChIKeyRDCHSTCPXVOYMP-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.99
Rot. Bonds4

About 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid

2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid (PubChem CID 142703560) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid
PubChem CID142703560
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid
SMILESCc1cc(-c2cc(-c3ccc(C(=O)O)c(F)c3)no2)ccc1N1CCOCC1
InChIInChI=1S/C21H19FN2O4/c1-13-10-15(3-5-19(13)24-6-8-27-9-7-24)20-12-18(23-28-20)14-2-4-16(21(25)26)17(22)11-14/h2-5,10-12H,6-9H2,1H3,(H,25,26)
InChIKeyRDCHSTCPXVOYMP-UHFFFAOYSA-N
XLogP3.99
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid with MolForge

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Related Compounds

3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117493548
methyl 2-fluoro-4-[5-(3-methyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 67528201
2-fluoro-4-[5-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 59495767
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid
CID 142703448
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 115112637
5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 118695317
2-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 63961568
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 87025846
2-hydroxy-5-[5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2-oxazol-3-yl]benzoic acid
CID 142703472
2-fluoro-4-[5-(3-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 25255870

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid?
The IUPAC name of 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid (CID 142703560) is 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid is Cc1cc(-c2cc(-c3ccc(C(=O)O)c(F)c3)no2)ccc1N1CCOCC1.
What is the InChIKey of 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid?
The InChIKey is RDCHSTCPXVOYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-13-10-15(3-5-19(13)24-6-8-27-9-7-24)20-12-18(23-28-20)14-2-4-16(21(25)26)17(22)11-14/h2-5,10-12H,6-9H2,1H3,(H,25,26).
What are the key properties of 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid?
2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid has a molecular weight of 382.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-(3-methyl-4-morpholin-4-ylphenyl)-1,2-oxazol-3-yl]benzoic acid is sourced from PubChem (CID 142703560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).