4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol

C11H14N2O2 — CID 136765444

IUPAC4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol
SMILESCC1(CN)CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C11H14N2O2/c1-11(7-12)6-10(13-15-11)8-2-4-9(14)5-3-8/h2-5,14H,6-7,12H2,1H3
InChIKeySDOWDLFSUZGJPA-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.23
Rot. Bonds2

About 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol

4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol (PubChem CID 136765444) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol
PubChem CID136765444
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol
SMILESCC1(CN)CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C11H14N2O2/c1-11(7-12)6-10(13-15-11)8-2-4-9(14)5-3-8/h2-5,14H,6-7,12H2,1H3
InChIKeySDOWDLFSUZGJPA-UHFFFAOYSA-N
XLogP1.23
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol?
The IUPAC name of 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol (CID 136765444) is 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol is CC1(CN)CC(c2ccc(O)cc2)=NO1.
What is the InChIKey of 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol?
The InChIKey is SDOWDLFSUZGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(7-12)6-10(13-15-11)8-2-4-9(14)5-3-8/h2-5,14H,6-7,12H2,1H3.
What are the key properties of 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol?
4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol has a molecular weight of 206.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 136765444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).