3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole

C19H19NO — CID 71398410

IUPAC3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
SMILESCc1cc(C)c(C2=NOC3c4ccccc4CC23)c(C)c1
InChIInChI=1S/C19H19NO/c1-11-8-12(2)17(13(3)9-11)18-16-10-14-6-4-5-7-15(14)19(16)21-20-18/h4-9,16,19H,10H2,1-3H3
InChIKeyLDUZRPCXXBFHTO-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.26
Rot. Bonds1

About 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole

3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole (PubChem CID 71398410) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
PubChem CID71398410
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
SMILESCc1cc(C)c(C2=NOC3c4ccccc4CC23)c(C)c1
InChIInChI=1S/C19H19NO/c1-11-8-12(2)17(13(3)9-11)18-16-10-14-6-4-5-7-15(14)19(16)21-20-18/h4-9,16,19H,10H2,1-3H3
InChIKeyLDUZRPCXXBFHTO-UHFFFAOYSA-N
XLogP4.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole?
The IUPAC name of 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole (CID 71398410) is 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole.
What is the SMILES notation for 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole?
The canonical SMILES for 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole is Cc1cc(C)c(C2=NOC3c4ccccc4CC23)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole?
The InChIKey is LDUZRPCXXBFHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-11-8-12(2)17(13(3)9-11)18-16-10-14-6-4-5-7-15(14)19(16)21-20-18/h4-9,16,19H,10H2,1-3H3.
What are the key properties of 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole?
3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole has a molecular weight of 277.37 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole is sourced from PubChem (CID 71398410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).