methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate

C32H29ClN2O6 — CID 54581458

IUPACmethyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc12
InChIInChI=1S/C32H29ClN2O6/c1-19-26(18-30(36)39-4)27-17-25(12-13-29(27)35(19)32(37)21-8-10-23(33)11-9-21)40-15-14-28-20(2)41-31(34-28)22-6-5-7-24(16-22)38-3/h5-13,16-17H,14-15,18H2,1-4H3
InChIKeyQDHJDRRGAAMKJP-UHFFFAOYSA-N
MW573.05 g/mol
LogP6.60
Rot. Bonds9

About methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate

methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate (PubChem CID 54581458) has the molecular formula C32H29ClN2O6 and a molecular weight of 573.05 g/mol. Its IUPAC name is methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate
PubChem CID54581458
Molecular FormulaC32H29ClN2O6
Molecular Weight573.05 g/mol
Exact Mass572.17
IUPAC Namemethyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc12
InChIInChI=1S/C32H29ClN2O6/c1-19-26(18-30(36)39-4)27-17-25(12-13-29(27)35(19)32(37)21-8-10-23(33)11-9-21)40-15-14-28-20(2)41-31(34-28)22-6-5-7-24(16-22)38-3/h5-13,16-17H,14-15,18H2,1-4H3
InChIKeyQDHJDRRGAAMKJP-UHFFFAOYSA-N
XLogP6.60
TPSA92.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.05
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate 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
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
methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
CID 587439
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl 3-pyridin-3-ylpropanoate
CID 177454612
2-(dimethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 12658356
[3-(chloromethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 68880111
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
CID 11641115
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
4-hydroxybutan-2-yl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 129318639
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
1H-pyrazol-5-ylmethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 54163772

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate?
The IUPAC name of 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) is methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate is COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc12.
What is the InChIKey of methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate?
The InChIKey is QDHJDRRGAAMKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN2O6/c1-19-26(18-30(36)39-4)27-17-25(12-13-29(27)35(19)32(37)21-8-10-23(33)11-9-21)40-15-14-28-20(2)41-31(34-28)22-6-5-7-24(16-22)38-3/h5-13,16-17H,14-15,18H2,1-4H3.
What are the key properties of methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate?
methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate has a molecular weight of 573.05 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-chlorobenzoyl)-5-[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methylindol-3-yl]acetate is sourced from PubChem (CID 54581458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).