tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate

C24H26N2O3 — CID 155933361

IUPACtert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ccc(CC3(C)CC(c4ccccc4)=NO3)cc21
InChIInChI=1S/C24H26N2O3/c1-23(2,3)28-22(27)26-13-12-19-11-10-17(14-21(19)26)15-24(4)16-20(25-29-24)18-8-6-5-7-9-18/h5-14H,15-16H2,1-4H3
InChIKeyIUOGSCHZFIKEOV-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.55
Rot. Bonds3

About tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate

tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate (PubChem CID 155933361) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate
PubChem CID155933361
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nametert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ccc(CC3(C)CC(c4ccccc4)=NO3)cc21
InChIInChI=1S/C24H26N2O3/c1-23(2,3)28-22(27)26-13-12-19-11-10-17(14-21(19)26)15-24(4)16-20(25-29-24)18-8-6-5-7-9-18/h5-14H,15-16H2,1-4H3
InChIKeyIUOGSCHZFIKEOV-UHFFFAOYSA-N
XLogP5.55
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate (CID 155933361) is tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1ccc2ccc(CC3(C)CC(c4ccccc4)=NO3)cc21.
What is the InChIKey of tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate?
The InChIKey is IUOGSCHZFIKEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-23(2,3)28-22(27)26-13-12-19-11-10-17(14-21(19)26)15-24(4)16-20(25-29-24)18-8-6-5-7-9-18/h5-14H,15-16H2,1-4H3.
What are the key properties of tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate?
tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methyl]indole-1-carboxylate is sourced from PubChem (CID 155933361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).