5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol

C13H16N2O3 — CID 106370039

IUPAC5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
SMILESCc1cnc(CNC(C)c2cc(O)cc(O)c2)o1
InChIInChI=1S/C13H16N2O3/c1-8-6-15-13(18-8)7-14-9(2)10-3-11(16)5-12(17)4-10/h3-6,9,14,16-17H,7H2,1-2H3
InChIKeyYKMBZISLPXDCRL-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.25
Rot. Bonds4

About 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol

5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 106370039) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
PubChem CID106370039
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
SMILESCc1cnc(CNC(C)c2cc(O)cc(O)c2)o1
InChIInChI=1S/C13H16N2O3/c1-8-6-15-13(18-8)7-14-9(2)10-3-11(16)5-12(17)4-10/h3-6,9,14,16-17H,7H2,1-2H3
InChIKeyYKMBZISLPXDCRL-UHFFFAOYSA-N
XLogP2.25
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol (CID 106370039) is 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol is Cc1cnc(CNC(C)c2cc(O)cc(O)c2)o1.
What is the InChIKey of 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is YKMBZISLPXDCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-6-15-13(18-8)7-14-9(2)10-3-11(16)5-12(17)4-10/h3-6,9,14,16-17H,7H2,1-2H3.
What are the key properties of 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol?
5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol has a molecular weight of 248.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 106370039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).