methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate

C30H26Cl2N2O4 — CID 58138480

IUPACmethyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2ccc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)ccc32)c1
InChIInChI=1S/C30H26Cl2N2O4/c1-18(2)29-23(28(33-38-29)27-24(31)8-5-9-25(27)32)17-37-22-10-11-26-20(15-22)12-13-34(26)16-19-6-4-7-21(14-19)30(35)36-3/h4-15,18H,16-17H2,1-3H3
InChIKeyKOMQARQLPZLZAZ-UHFFFAOYSA-N
MW549.45 g/mol
LogP8.14
Rot. Bonds8

About methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate

methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate (PubChem CID 58138480) has the molecular formula C30H26Cl2N2O4 and a molecular weight of 549.45 g/mol. Its IUPAC name is methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate
PubChem CID58138480
Molecular FormulaC30H26Cl2N2O4
Molecular Weight549.45 g/mol
Exact Mass548.13
IUPAC Namemethyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2ccc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)ccc32)c1
InChIInChI=1S/C30H26Cl2N2O4/c1-18(2)29-23(28(33-38-29)27-24(31)8-5-9-25(27)32)17-37-22-10-11-26-20(15-22)12-13-34(26)16-19-6-4-7-21(14-19)30(35)36-3/h4-15,18H,16-17H2,1-3H3
InChIKeyKOMQARQLPZLZAZ-UHFFFAOYSA-N
XLogP8.14
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.45
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate with MolForge

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Related Compounds

1-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methyl]indole-6-carboxylic acid
CID 56673082
methyl 3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]benzoate
CID 146302377
3-[[5-[[3-[(2,6-dibromophenoxy)methyl]-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoic acid
CID 25165165
methyl (3S)-1-[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indole-1-carbonyl]pyrrolidine-3-carboxylate
CID 66933625
methyl 4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]anilino]benzoate
CID 69143691
methyl 4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenoxy]methyl]benzoate
CID 58755325
methyl 3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]benzoate
CID 58138535
4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenol
CID 69209967
[3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate
CID 161118862
[3-[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]naphthalen-2-yl]phenyl]methanamine
CID 25165954
3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]methoxy]benzoic acid
CID 10256324
3-[(Z)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
CID 93473773

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate (CID 58138480) is methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate is COC(=O)c1cccc(Cn2ccc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)ccc32)c1.
What is the InChIKey of methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate?
The InChIKey is KOMQARQLPZLZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N2O4/c1-18(2)29-23(28(33-38-29)27-24(31)8-5-9-25(27)32)17-37-22-10-11-26-20(15-22)12-13-34(26)16-19-6-4-7-21(14-19)30(35)36-3/h4-15,18H,16-17H2,1-3H3.
What are the key properties of methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate?
methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate has a molecular weight of 549.45 g/mol, XLogP of 8.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate is sourced from PubChem (CID 58138480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).