3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole

C15H19NO — CID 58957903

IUPAC3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole
SMILESCCC1ON=C2c3cc(C)c(C)cc3CCC21
InChIInChI=1S/C15H19NO/c1-4-14-12-6-5-11-7-9(2)10(3)8-13(11)15(12)16-17-14/h7-8,12,14H,4-6H2,1-3H3
InChIKeyFOJLMLIOSCWDPA-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.38
Rot. Bonds1

About 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole

3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole (PubChem CID 58957903) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole.

Molecular Properties

Compound Name3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole
PubChem CID58957903
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole
SMILESCCC1ON=C2c3cc(C)c(C)cc3CCC21
InChIInChI=1S/C15H19NO/c1-4-14-12-6-5-11-7-9(2)10(3)8-13(11)15(12)16-17-14/h7-8,12,14H,4-6H2,1-3H3
InChIKeyFOJLMLIOSCWDPA-UHFFFAOYSA-N
XLogP3.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561576
(5R)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561574
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
cis-3-Phenyl-4,5-tetramethyleneisoxazoline
CID 12999871
5-(Naphthalen-2-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881548
3-Naphthalen-1-yl-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71451463
3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine-6-carbonitrile
CID 25197529
6-(chloromethyl)-3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine
CID 25197530
3-indan-5-yl-5,6-dihydro-4H-oxazine-6-carbonitrile
CID 25197532
[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
CID 25197669
5-Cyclohexyl-3-phenyl-4,5-dihydroisoxazole
CID 14922417

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole?
The IUPAC name of 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole (CID 58957903) is 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole.
What is the SMILES notation for 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole?
The canonical SMILES for 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole is CCC1ON=C2c3cc(C)c(C)cc3CCC21.
What is the InChIKey of 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole?
The InChIKey is FOJLMLIOSCWDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-14-12-6-5-11-7-9(2)10(3)8-13(11)15(12)16-17-14/h7-8,12,14H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole?
3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole has a molecular weight of 229.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole is sourced from PubChem (CID 58957903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).