3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine

C14H16N2O — CID 84647265

IUPAC3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESCCc1ccccc1-c1noc2c1CCNC2
InChIInChI=1S/C14H16N2O/c1-2-10-5-3-4-6-11(10)14-12-7-8-15-9-13(12)17-16-14/h3-6,15H,2,7-9H2,1H3
InChIKeyXKADNJZOGROETF-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.55
Rot. Bonds2

About 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine

3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 84647265) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
PubChem CID84647265
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESCCc1ccccc1-c1noc2c1CCNC2
InChIInChI=1S/C14H16N2O/c1-2-10-5-3-4-6-11(10)14-12-7-8-15-9-13(12)17-16-14/h3-6,15H,2,7-9H2,1H3
InChIKeyXKADNJZOGROETF-UHFFFAOYSA-N
XLogP2.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The IUPAC name of 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (CID 84647265) is 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The canonical SMILES for 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is CCc1ccccc1-c1noc2c1CCNC2.
What is the InChIKey of 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The InChIKey is XKADNJZOGROETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-10-5-3-4-6-11(10)14-12-7-8-15-9-13(12)17-16-14/h3-6,15H,2,7-9H2,1H3.
What are the key properties of 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 228.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84647265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).