tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate

C17H18N2O3 — CID 10979418

IUPACtert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate
SMILESCc1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)o1
InChIInChI=1S/C17H18N2O3/c1-11-18-9-15(21-11)13-10-19(16(20)22-17(2,3)4)14-8-6-5-7-12(13)14/h5-10H,1-4H3
InChIKeyMILXXFBUZOSSAY-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.39
Rot. Bonds1

About tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate

tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate (PubChem CID 10979418) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate
PubChem CID10979418
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nametert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate
SMILESCc1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)o1
InChIInChI=1S/C17H18N2O3/c1-11-18-9-15(21-11)13-10-19(16(20)22-17(2,3)4)14-8-6-5-7-12(13)14/h5-10H,1-4H3
InChIKeyMILXXFBUZOSSAY-UHFFFAOYSA-N
XLogP4.39
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole
CID 13481635
tert-butyl 3-(2-chlorothiophen-3-yl)indole-1-carboxylate
CID 135380466
tert-butyl 3-(3,5-ditert-butylphenyl)indole-1-carboxylate
CID 175951991
tert-butyl 3-(2-chloropyrimidin-4-yl)indole-1-carboxylate
CID 156694217
tert-butyl 3-(3-phenylphenyl)indole-1-carboxylate
CID 150096513
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
tert-butyl 3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indole-1-carboxylate
CID 11166603
tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate
CID 142140134
CID 163971727
CID 163971727
tert-butyl 3-formylindole-1-carboxylate
CID 2764519
tert-butyl 3-(7-bromo-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl)indole-1-carboxylate
CID 159463763

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate (CID 10979418) is tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate is Cc1ncc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)o1.
What is the InChIKey of tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate?
The InChIKey is MILXXFBUZOSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-18-9-15(21-11)13-10-19(16(20)22-17(2,3)4)14-8-6-5-7-12(13)14/h5-10H,1-4H3.
What are the key properties of tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate?
tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate is sourced from PubChem (CID 10979418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).