2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid

C27H19F6NO5 — CID 11642478

IUPAC2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2C(=O)O)cc1
InChIInChI=1S/C27H19F6NO5/c1-15-21(34-24(39-15)17-5-3-2-4-6-17)14-37-19-9-7-16(8-10-19)13-38-22-12-18(26(28,29)30)11-20(27(31,32)33)23(22)25(35)36/h2-12H,13-14H2,1H3,(H,35,36)
InChIKeyNRYRKRZEAJHOPB-UHFFFAOYSA-N
MW551.44 g/mol
LogP7.54
Rot. Bonds8

About 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid

2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid (PubChem CID 11642478) has the molecular formula C27H19F6NO5 and a molecular weight of 551.44 g/mol. Its IUPAC name is 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid
PubChem CID11642478
Molecular FormulaC27H19F6NO5
Molecular Weight551.44 g/mol
Exact Mass551.12
IUPAC Name2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2C(=O)O)cc1
InChIInChI=1S/C27H19F6NO5/c1-15-21(34-24(39-15)17-5-3-2-4-6-17)14-37-19-9-7-16(8-10-19)13-38-22-12-18(26(28,29)30)11-20(27(31,32)33)23(22)25(35)36/h2-12H,13-14H2,1H3,(H,35,36)
InChIKeyNRYRKRZEAJHOPB-UHFFFAOYSA-N
XLogP7.54
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.44
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid with MolForge

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Related Compounds

Imiglitazar
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid (CID 11642478) is 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid?
The InChIKey is NRYRKRZEAJHOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F6NO5/c1-15-21(34-24(39-15)17-5-3-2-4-6-17)14-37-19-9-7-16(8-10-19)13-38-22-12-18(26(28,29)30)11-20(27(31,32)33)23(22)25(35)36/h2-12H,13-14H2,1H3,(H,35,36).
What are the key properties of 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid?
2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid has a molecular weight of 551.44 g/mol, XLogP of 7.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-4,6-bis(trifluoromethyl)benzoic acid is sourced from PubChem (CID 11642478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).