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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Related Compounds

3-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]phenol
CID 86807167
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol
CID 107733916
3-[(5-amino-1,3-benzoxazol-2-yl)methyl-ethylamino]phenol
CID 107733910
3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
CID 107733903
3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
CID 107733913
7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 138027848
3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 23390580
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol
CID 142915083
3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol
CID 71861840
4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
ethyl 2-[(N-ethyl-3-hydroxyanilino)methyl]prop-2-enoate
CID 107736751

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).