6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole

C19H21NO2 — CID 102153614

IUPAC6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole
SMILESCOc1ccc2c(c1)C(C)(C)C1(c3ccccc3)OCCN21
InChIInChI=1S/C19H21NO2/c1-18(2)16-13-15(21-3)9-10-17(16)20-11-12-22-19(18,20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyYAXIMKBCSFILMX-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.68
Rot. Bonds2

About 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole

6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole (PubChem CID 102153614) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole.

Molecular Properties

Compound Name6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole
PubChem CID102153614
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole
SMILESCOc1ccc2c(c1)C(C)(C)C1(c3ccccc3)OCCN21
InChIInChI=1S/C19H21NO2/c1-18(2)16-13-15(21-3)9-10-17(16)20-11-12-22-19(18,20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyYAXIMKBCSFILMX-UHFFFAOYSA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole?
The IUPAC name of 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole (CID 102153614) is 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole.
What is the SMILES notation for 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole?
The canonical SMILES for 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole is COc1ccc2c(c1)C(C)(C)C1(c3ccccc3)OCCN21.
What is the InChIKey of 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole?
The InChIKey is YAXIMKBCSFILMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-18(2)16-13-15(21-3)9-10-17(16)20-11-12-22-19(18,20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole?
6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole has a molecular weight of 295.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole is sourced from PubChem (CID 102153614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).