(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid

C30H27FN2O5 — CID 11179840

IUPAC(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCc1oc(-c2ccc(F)cc2)nc1COc1cccc(C(C)(C)C(=O)N2c3ccccc3C[C@@H]2C(=O)O)c1
InChIInChI=1S/C30H27FN2O5/c1-18-24(32-27(38-18)19-11-13-22(31)14-12-19)17-37-23-9-6-8-21(16-23)30(2,3)29(36)33-25-10-5-4-7-20(25)15-26(33)28(34)35/h4-14,16,26H,15,17H2,1-3H3,(H,34,35)/t26-/m1/s1
InChIKeyORICCQQBSKUZDI-AREMUKBSSA-N
MW514.55 g/mol
LogP5.69
Rot. Bonds7

About (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid

(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 11179840) has the molecular formula C30H27FN2O5 and a molecular weight of 514.55 g/mol. Its IUPAC name is (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID11179840
Molecular FormulaC30H27FN2O5
Molecular Weight514.55 g/mol
Exact Mass514.19
IUPAC Name(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCc1oc(-c2ccc(F)cc2)nc1COc1cccc(C(C)(C)C(=O)N2c3ccccc3C[C@@H]2C(=O)O)c1
InChIInChI=1S/C30H27FN2O5/c1-18-24(32-27(38-18)19-11-13-22(31)14-12-19)17-37-23-9-6-8-21(16-23)30(2,3)29(36)33-25-10-5-4-7-20(25)15-26(33)28(34)35/h4-14,16,26H,15,17H2,1-3H3,(H,34,35)/t26-/m1/s1
InChIKeyORICCQQBSKUZDI-AREMUKBSSA-N
XLogP5.69
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 11260470
1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 68677163
[(2R)-1-[2-[3-[[2-(4-cyanophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindol-2-yl] hydrogen carbonate
CID 68802886
[(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate
CID 68803640
[(2R)-1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]pyrrolidin-2-yl] hydrogen carbonate
CID 68803639
1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69171905
3-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 69172963
3-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2-carboxylic acid
CID 162585116
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
(2R)-1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 10195981
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-one
CID 67695187
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid (CID 11179840) is (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid is Cc1oc(-c2ccc(F)cc2)nc1COc1cccc(C(C)(C)C(=O)N2c3ccccc3C[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is ORICCQQBSKUZDI-AREMUKBSSA-N. The full InChI is InChI=1S/C30H27FN2O5/c1-18-24(32-27(38-18)19-11-13-22(31)14-12-19)17-37-23-9-6-8-21(16-23)30(2,3)29(36)33-25-10-5-4-7-20(25)15-26(33)28(34)35/h4-14,16,26H,15,17H2,1-3H3,(H,34,35)/t26-/m1/s1.
What are the key properties of (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?
(2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 514.55 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 11179840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).