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

C14H16N2O — CID 83850192

IUPAC3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
SMILESCc1cc(C)cc(-c2onc3c2CCNC3)c1
InChIInChI=1S/C14H16N2O/c1-9-5-10(2)7-11(6-9)14-12-3-4-15-8-13(12)16-17-14/h5-7,15H,3-4,8H2,1-2H3
InChIKeyORWVQBKIEFHHDQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.60
Rot. Bonds1

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

3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine (PubChem CID 83850192) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
PubChem CID83850192
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
SMILESCc1cc(C)cc(-c2onc3c2CCNC3)c1
InChIInChI=1S/C14H16N2O/c1-9-5-10(2)7-11(6-9)14-12-3-4-15-8-13(12)16-17-14/h5-7,15H,3-4,8H2,1-2H3
InChIKeyORWVQBKIEFHHDQ-UHFFFAOYSA-N
XLogP2.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
The IUPAC name of 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine (CID 83850192) is 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine is Cc1cc(C)cc(-c2onc3c2CCNC3)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
The InChIKey is ORWVQBKIEFHHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-5-10(2)7-11(6-9)14-12-3-4-15-8-13(12)16-17-14/h5-7,15H,3-4,8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine?
3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine has a molecular weight of 228.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine is sourced from PubChem (CID 83850192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).