methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate

C21H20N2O3 — CID 20955301

IUPACmethyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1
InChIInChI=1S/C21H20N2O3/c1-14-18(13-23-12-11-15-5-3-4-6-19(15)23)22-20(26-14)16-7-9-17(10-8-16)21(24)25-2/h3-10H,11-13H2,1-2H3
InChIKeyUGPAWOMKVHZZGJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.00
Rot. Bonds4

About methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate

methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate (PubChem CID 20955301) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate
PubChem CID20955301
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namemethyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1
InChIInChI=1S/C21H20N2O3/c1-14-18(13-23-12-11-15-5-3-4-6-19(15)23)22-20(26-14)16-7-9-17(10-8-16)21(24)25-2/h3-10H,11-13H2,1-2H3
InChIKeyUGPAWOMKVHZZGJ-UHFFFAOYSA-N
XLogP4.00
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate with MolForge

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Related Compounds

methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
ethyl 4-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxylate
CID 28872252
methyl 4-[4-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 45171850
methyl 4-[4-[[(2S)-4-ethyl-2-methyl-3-oxopiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42286543
methyl 4-[4-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42381184
methyl 4-[4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42244942
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353127
methyl 4-[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 45173206
methyl 4-[4-[(2-methoxyethylamino)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 20955289
methyl 4-[5-methyl-4-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]benzoate
CID 26336255
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134
methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate
CID 110650660

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate?
The IUPAC name of methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate (CID 20955301) is methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate is COC(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1.
What is the InChIKey of methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate?
The InChIKey is UGPAWOMKVHZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-18(13-23-12-11-15-5-3-4-6-19(15)23)22-20(26-14)16-7-9-17(10-8-16)21(24)25-2/h3-10H,11-13H2,1-2H3.
What are the key properties of methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate?
methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate has a molecular weight of 348.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 20955301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).