3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol

C13H16N2O2 — CID 99793276

IUPAC3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol
SMILESCCN(Cc1ncc(C)o1)c1cccc(O)c1
InChIInChI=1S/C13H16N2O2/c1-3-15(9-13-14-8-10(2)17-13)11-5-4-6-12(16)7-11/h4-8,16H,3,9H2,1-2H3
InChIKeyQAIQDBFRVRNASB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.72
Rot. Bonds4

About 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol

3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol (PubChem CID 99793276) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol.

Molecular Properties

Compound Name3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol
PubChem CID99793276
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol
SMILESCCN(Cc1ncc(C)o1)c1cccc(O)c1
InChIInChI=1S/C13H16N2O2/c1-3-15(9-13-14-8-10(2)17-13)11-5-4-6-12(16)7-11/h4-8,16H,3,9H2,1-2H3
InChIKeyQAIQDBFRVRNASB-UHFFFAOYSA-N
XLogP2.72
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol?
The IUPAC name of 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol (CID 99793276) is 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol.
What is the SMILES notation for 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol?
The canonical SMILES for 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol is CCN(Cc1ncc(C)o1)c1cccc(O)c1.
What is the InChIKey of 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol?
The InChIKey is QAIQDBFRVRNASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15(9-13-14-8-10(2)17-13)11-5-4-6-12(16)7-11/h4-8,16H,3,9H2,1-2H3.
What are the key properties of 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol?
3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol is sourced from PubChem (CID 99793276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).