3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol

C11H12N2O2 — CID 115084355

IUPAC3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
SMILESNCCc1coc(-c2cccc(O)c2)n1
InChIInChI=1S/C11H12N2O2/c12-5-4-9-7-15-11(13-9)8-2-1-3-10(14)6-8/h1-3,6-7,14H,4-5,12H2
InChIKeyUAAYTWAUCSOOTO-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.55
Rot. Bonds3

About 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol

3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol (PubChem CID 115084355) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
PubChem CID115084355
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
SMILESNCCc1coc(-c2cccc(O)c2)n1
InChIInChI=1S/C11H12N2O2/c12-5-4-9-7-15-11(13-9)8-2-1-3-10(14)6-8/h1-3,6-7,14H,4-5,12H2
InChIKeyUAAYTWAUCSOOTO-UHFFFAOYSA-N
XLogP1.55
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol
CID 115084358
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
3-(4-phenyl-1,3-oxazol-2-yl)phenol
CID 115041984
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetonitrile;2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 159604704
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
CID 62071460
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82489230
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
3-(5-amino-1,3-benzoxazol-2-yl)phenol
CID 131880958

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol?
The IUPAC name of 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol (CID 115084355) is 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol.
What is the SMILES notation for 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol?
The canonical SMILES for 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol is NCCc1coc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol?
The InChIKey is UAAYTWAUCSOOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-5-4-9-7-15-11(13-9)8-2-1-3-10(14)6-8/h1-3,6-7,14H,4-5,12H2.
What are the key properties of 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol?
3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol has a molecular weight of 204.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 115084355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).