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

C14H14N2O2 — CID 116864878

IUPAC5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole
SMILESCCOc1cnc(-c2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C14H14N2O2/c1-3-17-12-8-15-14(18-12)13-9(2)16-11-7-5-4-6-10(11)13/h4-8,16H,3H2,1-2H3
InChIKeyDKFVAGNXSKITBY-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.53
Rot. Bonds3

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

5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole (PubChem CID 116864878) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole
PubChem CID116864878
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole
SMILESCCOc1cnc(-c2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C14H14N2O2/c1-3-17-12-8-15-14(18-12)13-9(2)16-11-7-5-4-6-10(11)13/h4-8,16H,3H2,1-2H3
InChIKeyDKFVAGNXSKITBY-UHFFFAOYSA-N
XLogP3.53
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
CID 116884405
5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 82482484
3-ethoxy-2-methyl-9H-carbazole-1,4-dione
CID 15458383
5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 136967038
4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 67553522
4-(2-methyl-1H-indol-3-yl)quinoline
CID 745072
2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
CID 116882873
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
CID 116878448
2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876786
butane;2,3-dimethyl-1H-indole
CID 143059445
[4-(2-methyl-1H-indol-3-yl)-3-pyridinyl]methanamine
CID 83919208

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole?
The IUPAC name of 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole (CID 116864878) is 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole?
The canonical SMILES for 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole is CCOc1cnc(-c2c(C)[nH]c3ccccc23)o1.
What is the InChIKey of 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole?
The InChIKey is DKFVAGNXSKITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-17-12-8-15-14(18-12)13-9(2)16-11-7-5-4-6-10(11)13/h4-8,16H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole?
5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole has a molecular weight of 242.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole is sourced from PubChem (CID 116864878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).