3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole

C14H16N2O — CID 23325475

IUPAC3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole
SMILESCCC1(c2cc3ccccc3[nH]2)C=C(C)ON1
InChIInChI=1S/C14H16N2O/c1-3-14(9-10(2)17-16-14)13-8-11-6-4-5-7-12(11)15-13/h4-9,15-16H,3H2,1-2H3
InChIKeyULCNWKJHIDJMST-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.21
Rot. Bonds2

About 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole

3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole (PubChem CID 23325475) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole
PubChem CID23325475
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole
SMILESCCC1(c2cc3ccccc3[nH]2)C=C(C)ON1
InChIInChI=1S/C14H16N2O/c1-3-14(9-10(2)17-16-14)13-8-11-6-4-5-7-12(11)15-13/h4-9,15-16H,3H2,1-2H3
InChIKeyULCNWKJHIDJMST-UHFFFAOYSA-N
XLogP3.21
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylcycloheptyl)-1H-indole
CID 173176974
2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole
CID 101124309
2-methyl-1H-indole;hydrofluoride
CID 163912177
benzene;2-methyl-1H-indole
CID 158804583
1-(1H-indol-2-yl)cyclobutan-1-amine
CID 82602362
2-(2-pentyl-1,3-benzoxathiol-2-yl)-1H-indole
CID 134937120
(2R,3R,4R,5R,6S)-6-(hydroxymethyl)-4-(1H-indol-2-yl)-6-iodooxane-2,3,4,5-tetrol
CID 174652789
diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide
CID 75212952
3-ethyl-1H-quinoline-2-thione
CID 1445305
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
CID 70460334
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
2-but-1-en-2-yl-1H-indole
CID 23105124

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole?
The IUPAC name of 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole (CID 23325475) is 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole.
What is the SMILES notation for 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole?
The canonical SMILES for 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole is CCC1(c2cc3ccccc3[nH]2)C=C(C)ON1.
What is the InChIKey of 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole?
The InChIKey is ULCNWKJHIDJMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-14(9-10(2)17-16-14)13-8-11-6-4-5-7-12(11)15-13/h4-9,15-16H,3H2,1-2H3.
What are the key properties of 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole?
3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole has a molecular weight of 228.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole is sourced from PubChem (CID 23325475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).