4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol

C11H14N2O3 — CID 3064069

IUPAC4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNC2=NCCO2)ccc1O
InChIInChI=1S/C11H14N2O3/c1-15-10-6-8(2-3-9(10)14)7-13-11-12-4-5-16-11/h2-3,6,14H,4-5,7H2,1H3,(H,12,13)
InChIKeyJSWIQUSGCBFVMK-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.88
Rot. Bonds3

About 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol

4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol (PubChem CID 3064069) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol
PubChem CID3064069
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNC2=NCCO2)ccc1O
InChIInChI=1S/C11H14N2O3/c1-15-10-6-8(2-3-9(10)14)7-13-11-12-4-5-16-11/h2-3,6,14H,4-5,7H2,1H3,(H,12,13)
InChIKeyJSWIQUSGCBFVMK-UHFFFAOYSA-N
XLogP0.88
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol (CID 3064069) is 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol is COc1cc(CNC2=NCCO2)ccc1O.
What is the InChIKey of 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol?
The InChIKey is JSWIQUSGCBFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-10-6-8(2-3-9(10)14)7-13-11-12-4-5-16-11/h2-3,6,14H,4-5,7H2,1H3,(H,12,13).
What are the key properties of 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol?
4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol has a molecular weight of 222.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 3064069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).