2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid

C30H24Cl2N2O5 — CID 54581457

IUPAC2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H24Cl2N2O5/c1-17-24(16-28(35)36)25-15-23(11-12-27(25)34(17)30(37)20-5-9-22(32)10-6-20)38-14-13-26-18(2)39-29(33-26)19-3-7-21(31)8-4-19/h3-12,15H,13-14,16H2,1-2H3,(H,35,36)
InChIKeyBACKTPGVIQXXFD-UHFFFAOYSA-N
MW563.44 g/mol
LogP7.16
Rot. Bonds8

About 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid

2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid (PubChem CID 54581457) has the molecular formula C30H24Cl2N2O5 and a molecular weight of 563.44 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid
PubChem CID54581457
Molecular FormulaC30H24Cl2N2O5
Molecular Weight563.44 g/mol
Exact Mass562.11
IUPAC Name2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H24Cl2N2O5/c1-17-24(16-28(35)36)25-15-23(11-12-27(25)34(17)30(37)20-5-9-22(32)10-6-20)38-14-13-26-18(2)39-29(33-26)19-3-7-21(31)8-4-19/h3-12,15H,13-14,16H2,1-2H3,(H,35,36)
InChIKeyBACKTPGVIQXXFD-UHFFFAOYSA-N
XLogP7.16
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.44
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid with MolForge

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Related Compounds

methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-3-yl]acetate
CID 54580445
methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate
CID 54581458
2-[1-(4-chlorobenzoyl)-2-methyl-5-[4-[[2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]acetyl]amino]butoxy]indol-3-yl]acetic acid
CID 140877122
2-[5-methoxy-2-methyl-1-[4-(2-phenylethoxy)benzoyl]indol-3-yl]acetic acid
CID 10138321
2-[[3-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetic acid
CID 22169888
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
2-[5-[4-[[2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]butoxy]-1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetic acid
CID 118604663
methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
CID 587439
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
2-[1-(4-chlorobenzoyl)-2-methyl-5-(4-oxo-4-pentan-3-yloxybutanoyl)oxyindol-3-yl]acetic acid
CID 10601885
2-[1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 71718049
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid (CID 54581457) is 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid is Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid?
The InChIKey is BACKTPGVIQXXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N2O5/c1-17-24(16-28(35)36)25-15-23(11-12-27(25)34(17)30(37)20-5-9-22(32)10-6-20)38-14-13-26-18(2)39-29(33-26)19-3-7-21(31)8-4-19/h3-12,15H,13-14,16H2,1-2H3,(H,35,36).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid?
2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid has a molecular weight of 563.44 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 54581457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).