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

C11H12N2O2 — CID 115083777

IUPAC3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol
SMILESNCc1coc(Cc2cccc(O)c2)n1
InChIInChI=1S/C11H12N2O2/c12-6-9-7-15-11(13-9)5-8-2-1-3-10(14)4-8/h1-4,7,14H,5-6,12H2
InChIKeyDEXPGGZTMKIXED-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.43
Rot. Bonds3

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

3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol (PubChem CID 115083777) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol
PubChem CID115083777
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol
SMILESNCc1coc(Cc2cccc(O)c2)n1
InChIInChI=1S/C11H12N2O2/c12-6-9-7-15-11(13-9)5-8-2-1-3-10(14)4-8/h1-4,7,14H,5-6,12H2
InChIKeyDEXPGGZTMKIXED-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-benzyl-1,3-oxazol-4-yl)phenol
CID 115046801
3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115078870
1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083806
3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115006523
3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
CID 115084355
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63845058
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845617
3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79718111
3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 115081504
3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65334211

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol?
The IUPAC name of 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol (CID 115083777) is 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol is NCc1coc(Cc2cccc(O)c2)n1.
What is the InChIKey of 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol?
The InChIKey is DEXPGGZTMKIXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-6-9-7-15-11(13-9)5-8-2-1-3-10(14)4-8/h1-4,7,14H,5-6,12H2.
What are the key properties of 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol?
3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol has a molecular weight of 204.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol is sourced from PubChem (CID 115083777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).